Molecule

ID:8374

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClS
Molecular Mass
158.64848
Exact Mass
157.9956989
Charge
0
InChI
InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
PTGSDZVASWKUHK-UHFFFAOYSA-N
Canonic Smiles
CSc1cccc(c1)Cl
Isomeric Smiles
c1cc(cc(c1)SC)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2055075
LogD (pH = 7.4)
3.2055075
Log P
3.2055075
Molar Refractivity
43.6217
Polarizability
17.072943
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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