Molecule

ID:20764

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-3-5-13(12)16-10-11-6-8-14-9-7-11;/h2-5,11,14H,6-10H2,1H3;1H
InChIKey
UYSCLUXMVPHQKL-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COc2c(OC)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4691586
LogD (pH = 7.4)
-1.0083878
Log P
1.7622622
Molar Refractivity
63.9588
Polarizability
25.37217
Polar Surface Area
30.49
Rotatable Bonds
4
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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