Molecule

ID:24283

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H14ClNO2/c1-15-11(14)6-7-13-8-9-4-2-3-5-10(9)12/h2-5,13H,6-8H2,1H3
InChIKey
AFYMYRCGBNJAEE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNCc1ccccc1Cl
Isomeric Smiles
C(=O)(CCNCc1c(Cl)cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7007858
LogD (pH = 7.4)
1.0094216
Log P
1.9965295
Molar Refractivity
59.6639
Polarizability
23.699617
Polar Surface Area
38.33
Rotatable Bonds
6
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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