Molecule

ID:61276

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₄
Molecular Mass
232.19222
Exact Mass
232.04840675
Charge
0
InChI
InChI=1S/C11H8N2O4/c1-7-2-3-8(6-9(7)13(16)17)12-10(14)4-5-11(12)15/h2-6H,1H3
InChIKey
CCPWKCGMFGHEKP-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(c(c1)[N+](=O)[O-])C
Isomeric Smiles
N1(c2cc([N+](=O)[O-])c(cc2)C)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6991364
LogD (pH = 7.4)
1.6991372
Log P
1.6991372
Molar Refractivity
60.3916
Polarizability
21.70867
Polar Surface Area
83.2
Rotatable Bonds
2
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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