Molecule

ID:43918

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3
InChIKey
XDQJAYFCPRWDOL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nsn2
Isomeric Smiles
c12c(nsn1)ccc(c2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.630296
LogD (pH = 7.4)
2.6302962
Log P
2.6302962
Molar Refractivity
41.5816
Polarizability
16.552624
Polar Surface Area
25.78
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