Molecule

ID:14873

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO
Molecular Mass
239.74112
Exact Mass
239.10769188
Charge
0
InChI
InChI=1S/C13H17NO.ClH/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10;/h1-5,10-12,14H,6-9H2;1H
InChIKey
ZIANLNYVSRQZNH-UHFFFAOYSA-N
Canonic Smiles
N(Cc1ccco1)CC1CC2CC1C=C2.Cl
Isomeric Smiles
C1=CC2C(CC1C2)CNCc1ccco1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0206904
LogD (pH = 7.4)
0.461989
Log P
2.0099466
Molar Refractivity
61.2525
Polarizability
23.596561
Polar Surface Area
25.17
Rotatable Bonds
4
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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