Molecule

ID:80100

General Information
Structure
Molecular Formula
C₁₄H₇NO₅
Molecular Mass
269.20908
Exact Mass
269.03242233
Charge
0
InChI
InChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H
InChIKey
XXUOKOYLVBHBCG-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2C(=O)c2c1c(ccc2O)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c2c1C(=O)c1ccccc1C2=O)O)[O-]
Calculated Properties
JChem
Acid pKa
7.1674037
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.195973
LogD (pH = 7.4)
2.7794807
Log P
3.2051249
Molar Refractivity
70.4566
Polarizability
25.83137
Polar Surface Area
100.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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