Molecule

ID:43848

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₃
Molecular Mass
286.75456
Exact Mass
286.10842016
Charge
0
InChI
InChI=1S/C13H18N2O3.ClH/c16-13(18-12-4-2-1-3-5-12)14-6-7-15-8-10-17-11-9-15;/h1-5H,6-11H2,(H,14,16);1H
InChIKey
WEKTYQMXOKCWFF-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1ccccc1)NCCN1CCOCC1.Cl
Isomeric Smiles
C(=O)(Oc1ccccc1)NCCN1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
14.6410475
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6392161
LogD (pH = 7.4)
1.2531847
Log P
1.2707814
Molar Refractivity
67.8574
Polarizability
26.597227
Polar Surface Area
50.8
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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