Molecule

ID:119999

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H13NO2.ClH/c13-11(14)8-12-6-5-9-3-1-2-4-10(9)7-12;/h1-4H,5-8H2,(H,13,14);1H
InChIKey
GMZXHCONKSNOLL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCc2c(C1)cccc2.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.7480067
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2950768
LogD (pH = 7.4)
-1.2998434
Log P
-1.2951673
Molar Refractivity
53.9949
Polarizability
20.761024
Polar Surface Area
40.54
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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