Molecule

ID:55535

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNS
Molecular Mass
191.72146
Exact Mass
191.05354813
Charge
0
InChI
InChI=1S/C8H13NS.ClH/c1-6-4-8(5-9-3)7(2)10-6;/h4,9H,5H2,1-3H3;1H
InChIKey
VYOAXILXCHRNJQ-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc(sc1C)C.Cl
Isomeric Smiles
c1(c(sc(c1)C)C)CNC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.57319427
LogD (pH = 7.4)
0.49992508
Log P
2.6037583
Molar Refractivity
46.5244
Polarizability
17.704435
Polar Surface Area
12.03
Rotatable Bonds
2
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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