Molecule

ID:90336

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN₃S
Molecular Mass
201.67652
Exact Mass
201.01274595
Charge
0
InChI
InChI=1S/C7H7N3S.ClH/c8-4-5-2-1-3-6-7(5)10-11-9-6;/h1-3H,4,8H2;1H
InChIKey
LULBYGUOYLBVFL-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1nsn2.Cl
Isomeric Smiles
n1c2cccc(c2ns1)CN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.736998
LogD (pH = 7.4)
-0.7370041
Log P
1.2426434
Molar Refractivity
45.0138
Polarizability
18.155735
Polar Surface Area
51.8
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