Molecule

ID:88466

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c1-6(13)9-5-7-4-8(12(15)16)2-3-10(7)17-11(9)14/h2-5H,1H3
InChIKey
GRICKQQNBMVHCM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]
Isomeric Smiles
o1c2ccc(cc2cc(c1=O)C(=O)C)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
18.383326
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6402124
LogD (pH = 7.4)
1.6402124
Log P
1.6402124
Molar Refractivity
58.4987
Polarizability
21.428263
Polar Surface Area
89.19
Rotatable Bonds
2
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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