Molecule

ID:30165

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂S
Molecular Mass
205.23308
Exact Mass
205.01974947
Charge
0
InChI
InChI=1S/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H
InChIKey
NWJZBQDKKLHSBP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)Sc1ccccn1
Isomeric Smiles
c1(oc(cc1)C=O)Sc1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4005945
LogD (pH = 7.4)
2.4008176
Log P
2.4008205
Molar Refractivity
55.1269
Polarizability
20.863323
Polar Surface Area
43.1
Rotatable Bonds
3
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