Molecule

ID:21802

General Information
Structure
Molecular Formula
C₁₆H₂₄ClN
Molecular Mass
265.82146
Exact Mass
265.15972745
Charge
0
InChI
InChI=1S/C16H23N.ClH/c1-14-7-5-6-10-16(14)13-17-12-11-15-8-3-2-4-9-15;/h5-8,10,17H,2-4,9,11-13H2,1H3;1H
InChIKey
QRBWKGKNIFFPNH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CNCCC1=CCCCC1.Cl
Isomeric Smiles
C1(=CCCCC1)CCNCc1c(C)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9066539
LogD (pH = 7.4)
1.6804172
Log P
4.1203346
Molar Refractivity
75.6202
Polarizability
29.314999
Polar Surface Area
12.03
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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