Molecule

ID:77257

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNOS
Molecular Mass
239.7212
Exact Mass
239.01716263
Charge
0
InChI
InChI=1S/C11H10ClNOS/c1-7-11(14)13-10(15-7)6-8-2-4-9(12)5-3-8/h2-5,14H,6H2,1H3
InChIKey
GQQHJTAIJJMGDO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cc1nc(c(s1)C)O
Isomeric Smiles
n1c(sc(c1O)C)Cc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
10.532252
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.130234
LogD (pH = 7.4)
4.129925
Log P
4.130241
Molar Refractivity
62.5845
Polarizability
23.712593
Polar Surface Area
33.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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