Molecule

ID:8803

General Information
Structure
MolImage
Molecular Formula
C₉H₅NO₅
Molecular Mass
207.1397
Exact Mass
207.01677227
Charge
0
InChI
InChI=1S/C9H5NO5/c11-9(12)8-4-5-3-6(10(13)14)1-2-7(5)15-8/h1-4H,(H,11,12)
InChIKey
LZKWLHXJPIKJSJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
c1(ccc2c(c1)cc(o2)C(=O)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.0920947
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.72802764
LogD (pH = 7.4)
-1.8126472
Log P
1.6499374
Molar Refractivity
48.3533
Polarizability
19.00212
Polar Surface Area
93.58
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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