Molecule

ID:46586

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-12-9-13(2)11-15(10-12)17-8-5-14-3-6-16-7-4-14;/h9-11,14,16H,3-8H2,1-2H3;1H
InChIKey
JPAGVNFJESGOIZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCC2CCNCC2)cc(c1)C.Cl
Isomeric Smiles
N1CCC(CCOc2cc(cc(c2)C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.08180546
LogD (pH = 7.4)
0.53819543
Log P
3.3133912
Molar Refractivity
72.256
Polarizability
28.250069
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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