Software for chemicals, Pharmaceutical & Biotech Industry

Compound 98
  CheckMol                        TMF02:r0:m0
MF=C21H26O5 MW=358.43
 26 29  0 10  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914    1.1212   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431    0.8262   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193    2.5611   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345    1.9474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5107    3.6823   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    3.3873   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    1.6523   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    4.5085   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    4.8272   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8776    2.7736   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    5.9484   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4055    4.2134   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064    6.2671   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4731    7.0696   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3969    5.3347   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9248    6.7746   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8840    5.3465   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1286    7.6715   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061    8.2499   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3325    6.7864   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4505    8.3679   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1168    9.1822   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4033    9.9376   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8068    9.9376   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4967    9.1940   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  2  0  1  0  0
  4  6  2  0  1  0  0
  5  7  1  0  2  0  0
  5  8  1  0  1  0  0
  7  9  1  0  1  0  0
  7 10  1  1  0  0  0
  8 11  1  0  1  0  0
  9 12  1  1  1  0  0
  9 13  1  0  2  0  0
 12 14  2  0  0  0  0
 12 15  1  0  1  0  0
 13 16  1  0  1  0  0
 15 17  1  0  1  0  0
 16 18  1  1  1  0  0
 17 19  1  0  1  0  0
 17 20  1  1  0  0  0
 18 21  1  0  1  0  0
 19 22  1  6  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  1  0  0
 13 11  1  6  1  0  0
 16 17  1  0  2  0  0
 19 21  1  0  1  0  0
M  END

Prednisone

₹ 0.00 0.00

Chemical Name - Prednisone
Mol Weight - 358.432
Smiles - C[C@](C1)([C@@H](CC2)[C@H](CCC([C@]3(C)C=C4)=CC4=O)[C@@H]3C1=O)[C@]2(C(CO)=O)O

Property Name	Property Value
Mol Name	Prednisone
Molweight	358.432
Monoisotopic Mass	358.178025
Clogp	1.2851
Clogs	-3.009
H Acceptors	5
H Donors	2
Total Surface Area	252.47
Relative Psa	0.25872
Polar Surface Area	91.67
Druglikeness	3.8529
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.5
Molecular Flexibility	0.18571
Molecular Complexity	0.98993
Fragments	1
Non H Atoms	26
Non Ch Atoms	5
Electronegative Atoms	5
Stereo Centers	6
Rotatable Bonds	2
Rings Closures	4
Small Rings	4
Sp3 Atoms	16
Smiles	C[C@](C1)([C@@H](CC2)[C@H](CCC([C@]3(C)C=C4)=CC4=O)[C@@H]3C1=O)[C@]2(C(CO)=O)O
InChIKey	InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18-,19+,20+,21+/m1/s1
InChI	XOFYZVNMUHMLCC-BZDUYGCESA-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 - Prednisone
2 - Prednisone

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

Prednisone