Molecule

ID:46744

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-2-17-14-6-3-7-15(11-14)18-10-8-13-5-4-9-16-12-13;/h3,6-7,11,13,16H,2,4-5,8-10,12H2,1H3;1H
InChIKey
BCCIHQXRYGIVCR-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)OCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOc2cc(OCC)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6706833
LogD (pH = 7.4)
-0.29463324
Log P
2.563639
Molar Refractivity
73.3084
Polarizability
29.058525
Polar Surface Area
30.49
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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