Molecule

ID:101296

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃S
Molecular Mass
170.18574
Exact Mass
170.00376505
Charge
0
InChI
InChI=1S/C7H6O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h3-4H,1-2H2
InChIKey
GNVXYRDVJKJZTO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1scc2c1OCCO2
Isomeric Smiles
c12c(csc1C=O)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.111762
LogD (pH = 7.4)
1.111762
Log P
1.111762
Molar Refractivity
40.4893
Polarizability
15.304134
Polar Surface Area
35.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation