Molecule
ID:121826
General Information
Molecular Formula
C₁₈H₁₂N₂O₃
Molecular Mass
304.29948
Exact Mass
304.08479225
Charge
0
InChI
InChI=1S/C18H12N2O3/c19-15-8-7-14-16-12(15)5-2-6-13(16)17(22)20(18(14)23)10-3-1-4-11(21)9-10/h1-9,21H,19H2
InChIKey
AMXKRNUGTBUCAP-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)n1c(=O)c2cccc3c2c(c1=O)ccc3N
Isomeric Smiles
n1(c(=O)c2c3c(c1=O)cccc3c(cc2)N)c1cc(O)ccc1
Calculated Properties
JChem
Acid pKa
9.054041
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.431743
LogD (pH = 7.4)
2.4225736
Log P
2.432043
Molar Refractivity
87.1206
Polarizability
33.343044
Polar Surface Area
83.63
Rotatable Bonds
1
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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