Molecule

ID:20756

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-2-4-12(5-3-1)14-10-11-6-8-13-9-7-11;/h1-5,11,13H,6-10H2;1H
InChIKey
XRWWXZPTHSCQPJ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccccc1.Cl
Isomeric Smiles
N1CCC(COc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3114874
LogD (pH = 7.4)
-0.8507166
Log P
1.9199334
Molar Refractivity
57.4956
Polarizability
22.871307
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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