Molecule

ID:16939

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;/h1-5,12-13H,6-10H2;1H
InChIKey
TYZNPXDFDHBMNU-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)OCc1ccccc1.Cl
Isomeric Smiles
c1(COC2CCNCC2)ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7271531
LogD (pH = 7.4)
-1.03873
Log P
1.4927807
Molar Refractivity
57.7815
Polarizability
22.882162
Polar Surface Area
21.26
Rotatable Bonds
3
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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