Molecule

ID:74282

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClS
Molecular Mass
158.64848
Exact Mass
157.9956989
Charge
0
InChI
InChI=1S/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
LLSMWLJPWFSMCP-UHFFFAOYSA-N
Canonic Smiles
ClCSc1ccccc1
Isomeric Smiles
S(c1ccccc1)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.91131
LogD (pH = 7.4)
2.91131
Log P
2.91131
Molar Refractivity
43.3041
Polarizability
17.030733
Polar Surface Area
0.0
Rotatable Bonds
2
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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