Molecule

ID:44839

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c1-2-18-14(17)15(9-6-10-16-12-15)11-13-7-4-3-5-8-13;/h3-5,7-8,16H,2,6,9-12H2,1H3;1H
InChIKey
LYYLXDOYYBUOPP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCNC1)Cc1ccccc1.Cl
Isomeric Smiles
C1CC(CNC1)(C(=O)OCC)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4283159
LogD (pH = 7.4)
0.92008954
Log P
2.6732285
Molar Refractivity
71.636
Polarizability
28.46749
Polar Surface Area
38.33
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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