Molecule

ID:53997

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClN₃S
Molecular Mass
197.64476
Exact Mass
196.98144582
Charge
0
InChI
InChI=1S/C7H4ClN3S/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H
InChIKey
GKRUAXQNWYYKBS-UHFFFAOYSA-N
Canonic Smiles
Clc1snc(n1)c1cccnc1
Isomeric Smiles
c1(c2cccnc2)nsc(n1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.214121
LogD (pH = 7.4)
2.2210217
Log P
2.2211103
Molar Refractivity
59.3598
Polarizability
18.67841
Polar Surface Area
38.67
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