Molecule

ID:56647

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClOS
Molecular Mass
160.6213
Exact Mass
159.97496346
Charge
0
InChI
InChI=1S/C6H5ClOS/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
DJCGIWVUKCNCAT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)C(=O)Cl
Isomeric Smiles
c1(sc(cc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7229006
LogD (pH = 7.4)
2.7229006
Log P
2.7229006
Molar Refractivity
39.1189
Polarizability
14.588443
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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