Molecule
ID:124002
General Information
Molecular Formula
C₁₇H₁₀N₂O₄
Molecular Mass
306.2723
Exact Mass
306.06405681
Charge
0
InChI
InChI=1S/C17H10N2O4/c20-15-12-4-2-10(17(22)23)7-13(12)16(21)19(15)11-3-1-9-5-6-18-14(9)8-11/h1-8,18H,(H,22,23)
InChIKey
ZCEOGPOPBZNXLP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc2c(c1)[nH]cc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)c1cc2[nH]ccc2cc1
Calculated Properties
JChem
Acid pKa
3.4905136
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3306075
LogD (pH = 7.4)
-1.046795
Log P
2.3314025
Molar Refractivity
82.3318
Polarizability
31.621372
Polar Surface Area
90.47
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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