Molecule

ID:79252

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂NOS
Molecular Mass
284.16108
Exact Mass
282.96254021
Charge
0
InChI
InChI=1S/C12H7Cl2NOS/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H
InChIKey
NGZIPUKLQDTFOS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Sc1ncccc1C(=O)Cl
Isomeric Smiles
S(c1c(cccn1)C(=O)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3336997
LogD (pH = 7.4)
4.333737
Log P
4.333738
Molar Refractivity
72.8182
Polarizability
27.714968
Polar Surface Area
29.96
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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