Molecule
ID:122329
General Information
Molecular Formula
C₁₅H₁₀N₂O₄
Molecular Mass
282.2509
Exact Mass
282.06405681
Charge
0
InChI
InChI=1S/C15H10N2O4/c18-13-11-5-4-9(15(20)21)7-12(11)14(19)17(13)8-10-3-1-2-6-16-10/h1-7H,8H2,(H,20,21)
InChIKey
IURSGGXNUSIVEQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)Cc1ccccn1
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)Cc1ncccc1
Calculated Properties
JChem
Acid pKa
3.443707
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.7693718
LogD (pH = 7.4)
-2.1874902
Log P
0.26445943
Molar Refractivity
73.4012
Polarizability
27.065922
Polar Surface Area
87.57
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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