Molecule

ID:47142

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12(2)14-7-5-13(6-8-14)11-17-15-4-3-9-16-10-15;/h5-8,12,15-16H,3-4,9-11H2,1-2H3;1H
InChIKey
AFNQWVZHPUMDEC-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COC1CCCNC1)C.Cl
Isomeric Smiles
N1CC(OCc2ccc(cc2)C(C)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.00482729
LogD (pH = 7.4)
0.99362004
Log P
3.1951928
Molar Refractivity
71.7515
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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