Molecule

ID:47143

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12(2)14-5-3-13(4-6-14)11-17-15-7-9-16-10-8-15;/h3-6,12,15-16H,7-11H2,1-2H3;1H
InChIKey
MJVAWLZPRXLJAP-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(OCc2ccc(cc2)C(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.48214397
LogD (pH = 7.4)
0.20627907
Log P
2.7377899
Molar Refractivity
71.9723
Polarizability
28.338804
Polar Surface Area
21.26
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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