Molecule

ID:77754

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNS
Molecular Mass
167.70006
Exact Mass
167.05354813
Charge
0
InChI
InChI=1S/C6H13NS.ClH/c7-5-6-1-3-8-4-2-6;/h6H,1-5,7H2;1H
InChIKey
DREBXEFIPXBLAP-UHFFFAOYSA-N
Canonic Smiles
NCC1CCSCC1.Cl
Isomeric Smiles
S1CCC(CC1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.3364518
LogD (pH = 7.4)
-1.9244832
Log P
0.68780214
Molar Refractivity
39.1899
Polarizability
15.648488
Polar Surface Area
26.02
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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