Molecule

ID:100764

General Information
Structure
Molecular Formula
C₁₀H₇FN₂O₂
Molecular Mass
206.1731832
Exact Mass
206.04915569
Charge
0
InChI
InChI=1S/C10H7FN2O2/c11-8-1-2-10-9(5-8)7(6-12-10)3-4-13(14)15/h1-6,12H
InChIKey
RFGJWSVNMVSDEH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1c[nH]c2c1cc(F)cc2
Isomeric Smiles
[nH]1c2c(cc(cc2)F)c(c1)/C=C/[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
15.798131
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3688118
LogD (pH = 7.4)
2.3688118
Log P
2.3688118
Molar Refractivity
53.3512
Polarizability
20.610262
Polar Surface Area
61.61
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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