Molecule

ID:19145

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂NO₄
Molecular Mass
203.0998264
Exact Mass
203.00301402
Charge
0
InChI
InChI=1S/C7H3F2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12)
InChIKey
HGGRAOYTQNFGGN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(cc1[N+](=O)[O-])F
Isomeric Smiles
C(=O)(c1c(cc(c(c1)F)F)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
1.4605052
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5563474
LogD (pH = 7.4)
-1.671565
Log P
1.8562168
Molar Refractivity
40.0675
Polarizability
14.431046
Polar Surface Area
80.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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