Molecule

ID:110012

General Information
Structure
Molecular Formula
C₇H₁₅ClS
Molecular Mass
166.712
Exact Mass
166.05829916
Charge
0
InChI
InChI=1S/C7H15ClS/c1-7(2)3-5-9-6-4-8/h7H,3-6H2,1-2H3
InChIKey
QVORVXJRTWLNDC-UHFFFAOYSA-N
Canonic Smiles
ClCCSCCC(C)C
Isomeric Smiles
CC(C)CCSCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.135524
LogD (pH = 7.4)
3.135524
Log P
3.135524
Molar Refractivity
46.9096
Polarizability
18.497896
Polar Surface Area
0.0
Rotatable Bonds
5
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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