Molecule
ID:14371
General Information
Molecular Formula
C₁₂H₁₀N₄O₄
Molecular Mass
274.2322
Exact Mass
274.07020482
Charge
0
InChI
InChI=1S/C12H10N4O4/c17-9(18)5-7-10(19)15-11(13-7)16-12-14-6-3-1-2-4-8(6)20-12/h1-4,7H,5H2,(H,17,18)(H2,13,14,15,16,19)
InChIKey
AOVMBSMJQPJNFC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=NC1=O)Nc1nc2c(o1)cccc2
Isomeric Smiles
c1(nc2c(o1)cccc2)NC1=NC(=O)C(N1)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.8893054
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-3.2567022
LogD (pH = 7.4)
-5.639458
Log P
0.42050415
Molar Refractivity
66.026
Polarizability
25.98506
Polar Surface Area
116.82
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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