Molecule
ID:121737
General Information
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c18-14-13-11(4-1-5-12(13)15(19)20)9-17(14)8-10-3-2-6-16-7-10/h1-7H,8-9H2,(H,19,20)
InChIKey
XZEOKUWTYLNHOT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1C(=O)N(C2)Cc1cccnc1
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2C(=O)O)Cc1cnccc1
Calculated Properties
JChem
Acid pKa
3.5867686
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.48307523
LogD (pH = 7.4)
-2.0238907
Log P
0.1967787
Molar Refractivity
73.1963
Polarizability
27.152996
Polar Surface Area
70.5
Rotatable Bonds
3
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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