Molecule

ID:47212

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-2-6-14-8-3-4-9-15(14)17-12-13-7-5-10-16-11-13;/h3-4,8-9,13,16H,2,5-7,10-12H2,1H3;1H
InChIKey
RDNULWFKGLFNKE-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccc1OCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COc2c(CCC)cccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14216173
LogD (pH = 7.4)
0.799749
Log P
3.364049
Molar Refractivity
71.64
Polarizability
28.329742
Polar Surface Area
21.26
Rotatable Bonds
5
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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