Molecule

ID:40966

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂OS
Molecular Mass
262.71478
Exact Mass
261.99676153
Charge
0
InChI
InChI=1S/C12H7ClN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKey
DDZYUQDDVHXBIQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1ccs2)c1ccc(cc1)Cl
Isomeric Smiles
c12nc(c(n1ccs2)C=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.885135
LogD (pH = 7.4)
2.885298
Log P
2.8853
Molar Refractivity
79.5429
Polarizability
26.696781
Polar Surface Area
34.37
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