Molecule

ID:46594

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-2-13-4-3-5-15(12-13)17-11-8-14-6-9-16-10-7-14;/h3-5,12,14,16H,2,6-11H2,1H3;1H
InChIKey
HBOGOFQLPHLZGB-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2cc(ccc2)CC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.012952734
LogD (pH = 7.4)
0.4693427
Log P
3.2445385
Molar Refractivity
71.8158
Polarizability
28.329037
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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