Molecule

ID:34883

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₄O₄
Molecular Mass
310.2643
Exact Mass
310.07020482
Charge
0
InChI
InChI=1S/C15H10N4O4/c20-13(12-7-16-5-6-17-12)18-19-8-11(15(22)23)9-3-1-2-4-10(9)14(19)21/h1-8H,(H,18,20)(H,22,23)
InChIKey
QBWSJKJWNDZSLU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cnccn1)Nn1cc(C(=O)O)c2c(c1=O)cccc2
Isomeric Smiles
c1(cn(c(=O)c2c1cccc2)NC(=O)c1nccnc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.5054693
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.8535712
LogD (pH = 7.4)
-3.480673
Log P
0.030547474
Molar Refractivity
78.2856
Polarizability
29.056578
Polar Surface Area
112.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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