Molecule

ID:101007

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂OS
Molecular Mass
266.74654
Exact Mass
266.02806166
Charge
0
InChI
InChI=1S/C12H11ClN2OS/c13-8-3-4-11(14)10(6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKey
USRPVAXGRIAOSI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)NCc1cccs1)N
Isomeric Smiles
c1(C(=O)NCc2sccc2)c(ccc(c1)Cl)N
Calculated Properties
JChem
Acid pKa
14.762696
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1098804
LogD (pH = 7.4)
3.1100335
Log P
3.1100354
Molar Refractivity
71.0408
Polarizability
26.28164
Polar Surface Area
55.12
Rotatable Bonds
3
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