Molecule

ID:39798

General Information
Structure
Molecular Formula
C₇H₃F₂NO₄
Molecular Mass
203.0998264
Exact Mass
203.00301402
Charge
0
InChI
InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
GPTNSBLYGCZJQV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(cc1F)C(=O)O
Isomeric Smiles
c1c(c(cc(c1C(=O)O)F)[N+](=O)[O-])F
Calculated Properties
JChem
Acid pKa
2.0536864
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.328812
LogD (pH = 7.4)
-1.6666815
Log P
1.8562168
Molar Refractivity
40.0675
Polarizability
14.4330845
Polar Surface Area
80.44
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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