Molecule

ID:89430

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₅
Molecular Mass
183.1183
Exact Mass
183.01677227
Charge
0
InChI
InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey
PPDRLQLKHRZIJC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)C(=O)O)O
Isomeric Smiles
OC(=O)c1c(ccc(c1)[N+](=O)[O-])O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.61
LogD (pH = 5.5)
-1.20
Log P
1.92
Rotatable Bonds
2
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.17
Polar Surface Area
100.67
Polarizability
15.27
Molar Refractivity
41.62
LOG S
-1.84
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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