Software for chemicals, Pharmaceutical & Biotech Industry

Compound 84
  CheckMol                        TMF02:r0:m0
MF=C17H19N3O3S MW=345.42
 24 26  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4916   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903    0.7576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3140    0.7576   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324    2.2611   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.6517    0.1539   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6280    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8885    2.5807   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6461    1.2785   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9420    0.7931   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6399   -1.4679   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6343    3.8947   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1377    1.2903   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2561    0.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9539   -2.2019   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3495   -2.2137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1258    3.9065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.8716    2.6044   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2679   -1.4324   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9657   -3.6934   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3632    2.6162   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5819   -2.1663   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754   -4.4392   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0972    1.3259   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  4  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 01  0  1  0  0
 11 15 02  0  1  0  0
 11 16  1  0  0  0  0
 12 17 02  0  1  0  0
 13 18 02  0  1  0  0
 14 19 02  0  1  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8  9 02  0  2  0  0
 15 19 01  0  1  0  0
 17 18 01  0  1  0  0
M  END

Omeprazole

₹ 0.00 0.00

Chemical Name - Omeprazole
Mol Weight - 345.422
Smiles - Cc1cnc(CS(c2nc(ccc(OC)c3)c3[nH]2)=O)c(C)c1OC

Property Name	Property Value
Mol Name	Omeprazole
Molweight	345.422
Monoisotopic Mass	345.114712
Clogp	2.092
Clogs	-2.721
H Acceptors	6
H Donors	1
Total Surface Area	260.23
Relative Psa	0.30223
Polar Surface Area	96.31
Druglikeness	-1.8775
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.46704
Molecular Complexity	0.83313
Fragments	1
Non H Atoms	24
Non Ch Atoms	7
Electronegative Atoms	7
Stereo Centers	1
Rotatable Bonds	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3 Atoms	8
Aromatic Nitrogens	3
Basic Nitrogens	1
Smiles	Cc1cnc(CS(c2nc(ccc(OC)c3)c3[nH]2)=O)c(C)c1OC
InChIKey	InChI=1S/C17H21N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9,24H2,1-4H3,(H,19,20)
InChI	SNBKHXKHYBSZQV-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 - Omeprazole
2 - Omeprazole

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

Omeprazole