Molecule

ID:70252

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₄
Molecular Mass
167.1189
Exact Mass
167.02185765
Charge
0
InChI
InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey
SLAMLWHELXOEJZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(cccc1)[N+](=O)[O-])O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.96
LogD (pH = 5.5)
-1.89
Log P
1.57
Rotatable Bonds
2
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.18
Polar Surface Area
80.44
Polarizability
14.23
Molar Refractivity
39.63
LOG S
-2.23
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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