Molecule

ID:55599

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClNS
Molecular Mass
163.6683
Exact Mass
163.02224801
Charge
0
InChI
InChI=1S/C6H9NS.ClH/c1-5-2-3-6(4-7)8-5;/h2-3H,4,7H2,1H3;1H
InChIKey
COTMVCYERKXKDX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)CN.Cl
Isomeric Smiles
s1c(ccc1C)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2637534
LogD (pH = 7.4)
0.0010358741
Log P
1.6577564
Molar Refractivity
36.4776
Polarizability
14.102385
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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