Molecule

ID:10197

General Information
Structure
Molecular Formula
C₁₀H₇NO₆
Molecular Mass
237.16568
Exact Mass
237.02733695
Charge
0
InChI
InChI=1S/C10H7NO6/c12-4-7(5-13)8-2-1-6(10(14)15)3-9(8)11(16)17/h1-5,7H,(H,14,15)
InChIKey
VFPWGRRTVZRIRQ-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1ccc(cc1[N+](=O)[O-])C(=O)O)C=O
Isomeric Smiles
c1c(cc(c(c1)C(C=O)C=O)[N+](=O)[O-])C(=O)O
Calculated Properties
JChem
Acid pKa
-1.5103259
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-3.109607
LogD (pH = 7.4)
-4.84004
Log P
0.62600756
Molar Refractivity
56.3874
Polarizability
20.421654
Polar Surface Area
117.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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