Molecule

ID:57142

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO₄
Molecular Mass
193.15618
Exact Mass
193.03750771
Charge
0
InChI
InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChIKey
WWXMVRYHLZMQIG-SNAWJCMRSA-N
Canonic Smiles
OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1ccc(cc1/C=C/C(=O)O)[N+](=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-1.37
LogD (pH = 5.5)
-0.19
Log P
2.08
Rotatable Bonds
3
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.22
Polar Surface Area
80.44
Polarizability
17.87
Molar Refractivity
49.38
LOG S
-2.83
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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