Molecule

ID:46797

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-17-15-7-4-5-13(11-15)12-18-10-8-14-6-2-3-9-16-14;/h4-5,7,11,14,16H,2-3,6,8-10,12H2,1H3;1H
InChIKey
HGCGGDVGNXDYIT-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCc2cc(OC)ccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.93452394
LogD (pH = 7.4)
-0.4775742
Log P
2.2970407
Molar Refractivity
73.4903
Polarizability
29.068996
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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