Molecule

ID:15395

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-2-5-14(6-3-1)7-4-12-17-13-15-8-10-16-11-9-15;/h1-3,5-6,15-16H,4,7-13H2;1H
InChIKey
WGVUBRHIPOBESP-UHFFFAOYSA-N
Canonic Smiles
C(CCc1ccccc1)OCC1CCNCC1.Cl
Isomeric Smiles
c1ccc(cc1)CCCOCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5448101
LogD (pH = 7.4)
-0.084055595
Log P
2.6866114
Molar Refractivity
71.9555
Polarizability
28.346283
Polar Surface Area
21.26
Rotatable Bonds
6
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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