Chem 1379 Tetranitrophenothiazine5 Oxide Dsrpl

Compound 402
  CheckMol                        TMF02:r0:m0
MF=C12H5N5O9S MW=395.26
 27 29  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844   -0.7423   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5082   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3079   -0.7306   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3197    2.2742   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2726    2.2624   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6159    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3197   -2.2152   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6276    1.5436   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315    3.7824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2608    3.7706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9238   -0.7070   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6276   -2.9458   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6394    4.5365   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5365   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5452    4.5247   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2317    0.0589   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9356   -2.1917   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6394   -4.4305   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9474    3.8060   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6512    6.0448   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    6.0330   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295    3.7942   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5397   -0.6716   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2435    1.5672   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3551   -5.1728   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9474   -5.1610   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  1  0  0
  1  4  1  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7 02  0  2  0  0
  4  8 01  0  1  0  0
  5  9  1  0  1  0  0
  5 10 01  0  1  0  0
  6 11 02  0  1  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
 10 14  1  0  0  0  0
 10 15 02  0  1  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18 02  0  1  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  2  0  0  0  0
 17 25  1  0  0  0  0
 19 26  2  0  0  0  0
 19 27  1  0  0  0  0
  7  9  1  0  1  0  0
 11 15 01  0  1  0  0
 13 18 01  0  1  0  0
M  CHG  1  14   1
M  CHG  1  16   1
M  CHG  1  17   1
M  CHG  1  19   1
M  CHG  1  21  -1
M  CHG  1  23  -1
M  CHG  1  25  -1
M  CHG  1  27  -1
M  END

1,3,7,9-Tetranitrophenothiazine,5-oxide

₹ 0.00 0.00

Chemical Name - 1,3,7,9-Tetranitrophenothiazine,5-oxide
Mol Weight - 395.264
Smiles - [O-][N+](c(cc1[N+]([O-])=O)cc2c1Nc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1S2=O)=O

Property Name	Property Value
Mol Name	1,3,7,9-Tetranitrophenothiazine,5-oxide
Molweight	395.264
Monoisotopic Mass	394.9808
Clogp	-1.0094
Clogs	-5.68
H Acceptors	14
H Donors	1
Total Surface Area	248.38
Relative Psa	0.62751
Polar Surface Area	231.59
Druglikeness	-6.2918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.40741
Molecular Flexibility	0.3428
Molecular Complexity	0.90551
Fragments	1
Non H Atoms	27
Non Ch Atoms	15
Electronegative Atoms	15
Rotatable Bonds	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	6
Symmetric Atoms	12
Amines	1
Aromatic Amines	1
Acidic Oxygens	4
Smiles	[O-][N+](c(cc1[N+]([O-])=O)cc2c1Nc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1S2=O)=O
InChIKey	InChI=1S/C12H5N5O9S/c18-14(19)5-1-7(16(22)23)11-9(3-5)27(26)10-4-6(15(20)21)2-8(17(24)25)12(10)13-11/h1-4,13H
InChI	MACCEORDICAAII-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - 1,3,7,9-Tetranitrophenothiazine,5-oxide
2 - 1,3,7,9-Tetranitrophenothiazine,5-oxide

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

1,3,7,9-Tetranitrophenothiazine,5-oxide