Molecule
ID:116463
General Information
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c1-3-14(13(16)17-4-2)9-11-7-5-6-8-12(11)15-10-14/h5-8,15H,3-4,9-10H2,1-2H3
InChIKey
DAOOBNIUYYKECQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CC)CNc2c(C1)cccc2
Isomeric Smiles
C1(C(=O)OCC)(Cc2c(NC1)cccc2)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7946434
LogD (pH = 7.4)
2.8121896
Log P
2.812418
Molar Refractivity
68.868
Polarizability
26.233498
Polar Surface Area
38.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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