Molecule

ID:46371

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-17-15-5-3-2-4-14(15)12-18-11-8-13-6-9-16-10-7-13;/h2-5,13,16H,6-12H2,1H3;1H
InChIKey
BSTGNKZKRIXLON-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1COCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(OC)cccc1)COCCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0692606
LogD (pH = 7.4)
-0.61287075
Log P
2.1623251
Molar Refractivity
73.7407
Polarizability
29.069275
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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