Software for chemicals, Pharmaceutical & Biotech Industry

Compound 42
  CheckMol                        TMF02:r0:m0
MF=C9H7N7O2S MW=277.26
 19 21  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2961   -1.4569   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1016    1.0187   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.7175   -1.9070   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8291   -2.4519   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5585    0.7225   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.9357    2.5230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0136   -3.3640   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3335   -2.2861   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5330   -3.9088   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.2929    2.0373   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1626   -0.6396   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    3.2929   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979    3.1508   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.8884   -4.3589   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9612   -3.6482   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.8478   -4.6432   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.6938    2.5467   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909    4.8090   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4 02  0  1  0  0
  2  5 01  0  1  0  0
  3  6 01  0  1  0  0
  3  7 02  0  1  0  0
  4  8 01  0  1  0  0
  5  9 01  0  1  0  0
  5 10 02  0  2  0  0
  6 11 01  0  1  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14 01  0  1  0  0
  8 15 02  0  1  0  0
  9 16 01  0  1  0  0
 10 17 01  0  1  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 10 15 01  0  1  0  0
 11 14 02  0  1  0  0
 16 17 02  0  1  0  0
M  CHG  1  13   1
M  CHG  1  19  -1
M  END

Azathioprine

₹ 0.00 0.00

Chemical Name - Azathioprine
Mol Weight - 277.268
Smiles - Cn(cn1)c(Sc2ncnc3c2[nH]cn3)c1[N+]([O-])=O

Property Name	Property Value
Mol Name	Azathioprine
Molweight	277.268
Monoisotopic Mass	277.038193
Clogp	-0.6232
Clogs	-2.443
H Acceptors	9
H Donors	1
Total Surface Area	194.85
Relative Psa	0.57814
Polar Surface Area	143.4
Druglikeness	-2.744
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.47368
Molecular Flexibility	0.39972
Molecular Complexity	0.81387
Fragments	1
Non H Atoms	19
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3 Atoms	3
Aromatic Nitrogens	6
Basic Nitrogens	2
Acidic Oxygens	1
Smiles	Cn(cn1)c(Sc2ncnc3c2[nH]cn3)c1[N+]([O-])=O
InChIKey	InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)
InChI	LMEKQMALGUDUQG-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 - Azathioprine
2 - Azathioprine

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

Azathioprine