Molecule

ID:85500

General Information
Structure
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-5H,6H2,1H3
InChIKey
CCEVJKZHAJJQJR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C(=C/c1ccc2c(c1)OCO2)/C
Isomeric Smiles
[N+](=O)(/C(=C/c1cc2c(cc1)OCO2)/C)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8229208
LogD (pH = 7.4)
1.8229208
Log P
1.8229208
Molar Refractivity
53.6343
Polarizability
20.099894
Polar Surface Area
64.28
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
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References
Bioactivity
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