Molecule

ID:86775

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNOS
Molecular Mass
249.71602
Exact Mass
249.00151256
Charge
0
InChI
InChI=1S/C12H8ClNOS/c13-11-8-9(6-7-14-11)12(15)16-10-4-2-1-3-5-10/h1-8H
InChIKey
QWGGVXIHSWBEBK-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(=O)Sc1ccccc1
Isomeric Smiles
S(c1ccccc1)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.715784
LogD (pH = 7.4)
3.7157853
Log P
3.7157853
Molar Refractivity
68.0134
Polarizability
25.909786
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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