Molecule

ID:55038

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO₂
Molecular Mass
245.7457
Exact Mass
245.11825657
Charge
0
InChI
InChI=1S/C12H19NO2.ClH/c1-2-3-9-14-11-4-6-12(7-5-11)15-10-8-13;/h4-7H,2-3,8-10,13H2,1H3;1H
InChIKey
JGKBCHNSQMFLEX-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)OCCN.Cl
Isomeric Smiles
c1(ccc(cc1)OCCN)OCCCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7767794
LogD (pH = 7.4)
0.32885882
Log P
2.1848185
Molar Refractivity
60.8078
Polarizability
24.258297
Polar Surface Area
44.48
Rotatable Bonds
7
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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