Molecule

ID:132135

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₄O₆
Molecular Mass
370.31626
Exact Mass
370.09133419
Charge
0
InChI
InChI=1S/C17H14N4O6/c22-17(23)15(7-10-9-18-13-4-2-1-3-12(10)13)19-14-6-5-11(20(24)25)8-16(14)21(26)27/h1-6,8-9,15,18-19H,7H2,(H,22,23)
InChIKey
LAPUOPKWYOOCKL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1cccc2)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.1082568
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
1.4148549
LogD (pH = 7.4)
0.31752512
Log P
3.7778282
Molar Refractivity
97.1852
Polarizability
36.09194
Polar Surface Area
156.76
Rotatable Bonds
7
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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