Molecule

ID:12028

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃NO₄
Molecular Mass
235.1168696
Exact Mass
235.00924227
Charge
0
InChI
InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
InChIKey
JFOIBTLTZWOAIC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)Oc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
C(=O)(Oc1ccc(cc1)[N+](=O)[O-])C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6528196
LogD (pH = 7.4)
2.6528196
Log P
2.6528196
Molar Refractivity
45.5253
Polarizability
16.444925
Polar Surface Area
72.12
Rotatable Bonds
4
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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