Molecule

ID:74273

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClS
Molecular Mass
158.64848
Exact Mass
157.9956989
Charge
0
InChI
InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
GKQXPTHQTXCXEV-UHFFFAOYSA-N
Canonic Smiles
SCc1ccc(cc1)Cl
Isomeric Smiles
SCc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
9.931166
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.0612953
LogD (pH = 7.4)
3.0601256
Log P
3.06131
Molar Refractivity
43.7073
Polarizability
17.081993
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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