Molecule

ID:46537

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO
Molecular Mass
281.82086
Exact Mass
281.15464207
Charge
0
InChI
InChI=1S/C16H23NO.ClH/c1-2-7-14-8-3-4-10-16(14)18-13-11-15-9-5-6-12-17-15;/h2-4,8,10,15,17H,1,5-7,9,11-13H2;1H
InChIKey
VNZPKYBEKCBTHX-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2c(CC=C)cccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29430008
LogD (pH = 7.4)
0.8872027
Log P
3.5198348
Molar Refractivity
76.2105
Polarizability
30.019049
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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