Molecule

ID:46266

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c1-3-4-12-5-6-14(15(9-12)17-2)18-11-13-7-8-16-10-13;/h3,5-6,9,13,16H,1,4,7-8,10-11H2,2H3;1H
InChIKey
APHBPJZEUPMBSM-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)OC)OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)ccc(c1)CC=C)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.78175205
LogD (pH = 7.4)
-0.62314194
Log P
2.4578211
Molar Refractivity
73.5463
Polarizability
28.81888
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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