Molecule

ID:56166

General Information
Structure
Molecular Formula
C₁₄H₁₀N₂O₅
Molecular Mass
286.2396
Exact Mass
286.05897143
Charge
0
InChI
InChI=1S/C14H10N2O5/c17-13(9-5-7-10(8-6-9)16(20)21)15-12-4-2-1-3-11(12)14(18)19/h1-8H,(H,15,17)(H,18,19)
InChIKey
PHYYRWFTRXRAQA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1C(=O)O
Isomeric Smiles
c1ccc(c(c1)NC(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
3.551394
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3704842
LogD (pH = 7.4)
-0.04671166
Log P
3.3126976
Molar Refractivity
76.1724
Polarizability
27.21203
Polar Surface Area
112.22
Rotatable Bonds
4
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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