Molecule

ID:64598

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H13NO2.ClH/c1-14-11(13)10-7-12-6-8-4-2-3-5-9(8)10;/h2-5,10,12H,6-7H2,1H3;1H
InChIKey
CKUUSORWZQEPCN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CNCc2c1cccc2.Cl
Isomeric Smiles
C1(c2c(CNC1)cccc2)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5262256
LogD (pH = 7.4)
0.19875726
Log P
1.0960292
Molar Refractivity
53.4706
Polarizability
21.088614
Polar Surface Area
38.33
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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