Molecule

ID:59144

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-4-17-14(16)12-8-11-7-9(2)5-6-13(11)15-10(12)3/h5-8H,4H2,1-3H3
InChIKey
NGDSVASJKBMFEA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2cc(C)ccc2nc1C
Isomeric Smiles
c1cc(cc2c1nc(c(c2)C(=O)OCC)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.127686
LogD (pH = 7.4)
3.1358716
Log P
3.135977
Molar Refractivity
66.3859
Polarizability
26.753847
Polar Surface Area
39.19
Rotatable Bonds
3
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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