Molecule

ID:13638

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNOS
Molecular Mass
229.72638
Exact Mass
229.03281269
Charge
0
InChI
InChI=1S/C10H11NOS.ClH/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;/h1-6,11H,7-8H2;1H
InChIKey
ZYOIHXQDJQULLL-UHFFFAOYSA-N
Canonic Smiles
c1coc(c1)CNCc1cccs1.Cl
Isomeric Smiles
c1cc(oc1)CNCc1cccs1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.24283713
LogD (pH = 7.4)
1.8718905
Log P
2.2291958
Molar Refractivity
53.1994
Polarizability
20.64136
Polar Surface Area
25.17
Rotatable Bonds
4
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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