Molecule

ID:74301

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₅
Molecular Mass
271.22496
Exact Mass
271.04807239
Charge
0
InChI
InChI=1S/C14H9NO5/c16-13(9-4-2-1-3-5-9)12-8-10(15(19)20)6-7-11(12)14(17)18/h1-8H,(H,17,18)
InChIKey
YZDQOKBFBUAJPD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1C(=O)c1ccccc1)[N+](=O)[O-]
Isomeric Smiles
O=C(c1c(ccc(c1)[N+](=O)[O-])C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.9684174
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.5388935
LogD (pH = 7.4)
-0.4480568
Log P
3.030166
Molar Refractivity
71.2144
Polarizability
26.221775
Polar Surface Area
100.19
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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