Molecule

ID:32194

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-2-5-12(6-3-1)16-10-8-14-11-13-7-4-9-15-13;/h1-3,5-6,13-14H,4,7-11H2;1H
InChIKey
ABRCINAFYZCFLJ-UHFFFAOYSA-N
Canonic Smiles
C(COc1ccccc1)NCC1CCCO1.Cl
Isomeric Smiles
O1C(CNCCOc2ccccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2164577
LogD (pH = 7.4)
0.16714351
Log P
1.8697602
Molar Refractivity
63.5003
Polarizability
25.387403
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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