Molecule

ID:46535

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO
Molecular Mass
281.82086
Exact Mass
281.15464207
Charge
0
InChI
InChI=1S/C16H23NO.ClH/c1-2-5-15-6-3-4-7-16(15)18-13-10-14-8-11-17-12-9-14;/h2-4,6-7,14,17H,1,5,8-13H2;1H
InChIKey
BADXMQRZWGCSBQ-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2c(CC=C)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15353341
LogD (pH = 7.4)
0.60992336
Log P
3.3851192
Molar Refractivity
76.4609
Polarizability
30.01905
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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