Molecule

ID:109692

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇ClOS
Molecular Mass
246.71208
Exact Mass
245.99061352
Charge
0
InChI
InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey
ZCDADJXRUCOCJE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(=O)c1c(s2)cccc1
Isomeric Smiles
Clc1ccc2sc3c(cccc3)c(=O)c2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.252147
LogD (pH = 7.4)
4.252147
Log P
4.252147
Molar Refractivity
68.0644
Polarizability
26.149439
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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