Molecule

ID:86776

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂NOS
Molecular Mass
284.16108
Exact Mass
282.96254021
Charge
0
InChI
InChI=1S/C12H7Cl2NOS/c13-9-1-3-10(4-2-9)17-12(16)8-5-6-15-11(14)7-8/h1-7H
InChIKey
VKGCBGMMDIDBAL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)SC(=O)c1ccnc(c1)Cl
Isomeric Smiles
S(c1ccc(cc1)Cl)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.319829
LogD (pH = 7.4)
4.31983
Log P
4.31983
Molar Refractivity
72.8182
Polarizability
27.803152
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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