Molecule

ID:63069

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNS
Molecular Mass
167.70006
Exact Mass
167.05354813
Charge
0
InChI
InChI=1S/C6H13NS.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKey
VXAYZGLCMOYQFU-UHFFFAOYSA-N
Canonic Smiles
CSC1CCNCC1.Cl
Isomeric Smiles
N1CCC(SC)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.559901
LogD (pH = 7.4)
-1.8676785
Log P
0.65978175
Molar Refractivity
39.1465
Polarizability
15.648511
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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