Molecule

ID:47099

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-2-4-12(5-3-1)15-10-11-16-13-6-8-14-9-7-13;/h1-5,13-14H,6-11H2;1H
InChIKey
UMJQGATXTWILNV-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)OCCOc1ccccc1.Cl
Isomeric Smiles
N1CCC(CC1)OCCOc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8075777
LogD (pH = 7.4)
-1.1191708
Log P
1.4123572
Molar Refractivity
63.7211
Polarizability
25.387354
Polar Surface Area
30.49
Rotatable Bonds
5
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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