Molecule

ID:59484

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-6-9-10(11-7-13-9)8-4-2-1-3-5-8/h1-7H
InChIKey
ZCFVPBKIUPRFQR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1scnc1c1ccccc1
Isomeric Smiles
c1(c(scn1)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.510053
LogD (pH = 7.4)
2.510056
Log P
2.510056
Molar Refractivity
52.3987
Polarizability
20.965631
Polar Surface Area
29.96
Rotatable Bonds
2
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