Molecule
ID:59476
General Information
Molecular Formula
C₉H₇ClS
Molecular Mass
182.66988
Exact Mass
181.9956989
Charge
0
InChI
InChI=1S/C9H7ClS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKey
JHDSVVPTMIYVGV-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc2c(s1)cccc2
Isomeric Smiles
s1c(cc2c1cccc2)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.568952
LogD (pH = 7.4)
3.568952
Log P
3.568952
Molar Refractivity
49.0491
Polarizability
20.150503
Polar Surface Area
0.0
Rotatable Bonds
1
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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