Molecule

ID:110017

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClS
Molecular Mass
152.68542
Exact Mass
152.0426491
Charge
0
InChI
InChI=1S/C6H13ClS/c1-6(2)5-8-4-3-7/h6H,3-5H2,1-2H3
InChIKey
ATBVWZMGSZWQRG-UHFFFAOYSA-N
Canonic Smiles
ClCCSCC(C)C
Isomeric Smiles
CC(C)CSCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7689092
LogD (pH = 7.4)
2.7689092
Log P
2.7689092
Molar Refractivity
42.2316
Polarizability
16.657404
Polar Surface Area
0.0
Rotatable Bonds
4
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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