Molecule

ID:14993

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClS
Molecular Mass
132.6112
Exact Mass
131.98004884
Charge
0
InChI
InChI=1S/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKey
KQFADYXPELMVHE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccsc1Cl
Isomeric Smiles
c1c(c(sc1)Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.03715
LogD (pH = 7.4)
3.03715
Log P
3.03715
Molar Refractivity
32.1697
Polarizability
12.683414
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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