Molecule

ID:88112

General Information
Structure
MolImage
Molecular Formula
C₇H₅NS
Molecular Mass
135.1863
Exact Mass
135.01427017
Charge
0
InChI
InChI=1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKey
MVPUXVBBHWUOFS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)S
Isomeric Smiles
Sc1ccc(cc1)C#N
Calculated Properties
JChem
Acid pKa
5.5336676
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6528333
LogD (pH = 7.4)
0.62493694
Log P
1.9225491
Molar Refractivity
39.7894
Polarizability
15.205123
Polar Surface Area
23.79
Rotatable Bonds
0
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