Molecule

ID:83086

General Information
Structure
MolImage
Molecular Formula
C₉H₅NO₅
Molecular Mass
207.1397
Exact Mass
207.01677227
Charge
0
InChI
InChI=1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H
InChIKey
NZQAQAUWFHMVEM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(=O)oc2c(c1O)cccc2
Isomeric Smiles
[N+](=O)(c1c(c2c(cccc2)oc1=O)O)[O-]
Calculated Properties
JChem
Acid pKa
3.9794133
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.71257114
LogD (pH = 7.4)
-1.9304111
Log P
0.800101
Molar Refractivity
48.7304
Polarizability
18.361046
Polar Surface Area
89.67
Rotatable Bonds
1
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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