Molecule
ID:14176
General Information
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c17-14(18)11-9-13(16-5-7-19-8-6-16)15-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,17,18)
InChIKey
SXKAHOLXYICUEG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2)N1CCOCC1
Isomeric Smiles
c12c(nc(cc1C(=O)O)N1CCOCC1)cccc2
Calculated Properties
JChem
Acid pKa
4.4251885
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.0496958
LogD (pH = 7.4)
-0.6830114
Log P
1.9897808
Molar Refractivity
71.0521
Polarizability
27.73506
Polar Surface Area
62.66
Rotatable Bonds
2
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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