Molecule
ID:37495
General Information
Molecular Formula
C₇H₄N₂O₂
Molecular Mass
148.11886
Exact Mass
148.02727738
Charge
0
InChI
InChI=1S/C7H4N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H
InChIKey
WQFPYEBGLBCQOY-UHFFFAOYSA-N
Canonic Smiles
[C-]#[N+]c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1cc(ccc1[N+]#[C-])[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
16.60604
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.36046636
LogD (pH = 7.4)
-0.36046636
Log P
-0.36046636
Molar Refractivity
47.2641
Polarizability
14.373148
Polar Surface Area
50.18
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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