Molecule

ID:66257

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂OS
Molecular Mass
216.68786
Exact Mass
216.0124116
Charge
0
InChI
InChI=1S/C8H9ClN2OS/c9-7-6(5-12)13-8(10-7)11-3-1-2-4-11/h5H,1-4H2
InChIKey
RNCWKOPQPWDUBD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1Cl)N1CCCC1
Isomeric Smiles
s1c(nc(c1C=O)Cl)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4992933
LogD (pH = 7.4)
2.4992936
Log P
2.4992936
Molar Refractivity
54.9435
Polarizability
19.860422
Polar Surface Area
33.2
Rotatable Bonds
2
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