Molecule

ID:94973

General Information
Structure
Molecular Formula
C₇H₃F₂NO₄
Molecular Mass
203.0998264
Exact Mass
203.00301402
Charge
0
InChI
InChI=1S/C7H3F2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
MDFSGDMPHMKKGB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)F
Isomeric Smiles
OC(=O)c1cc(c(cc1F)F)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
2.893264
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7025785
LogD (pH = 7.4)
-1.6297553
Log P
1.8562168
Molar Refractivity
40.0675
Polarizability
14.431131
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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