Molecule

ID:43824

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₃N₃O₄
Molecular Mass
303.1941296
Exact Mass
303.04669041
Charge
0
InChI
InChI=1S/C11H8F3N3O4/c1-2-21-10(18)8-9(17(19)20)16-5-6(11(12,13)14)3-4-7(16)15-8/h3-5H,2H2,1H3
InChIKey
JMHLTIBQWGPJEG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1[N+](=O)[O-])cc(cc2)C(F)(F)F
Isomeric Smiles
c1(cn2c(cc1)nc(c2[N+](=O)[O-])C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2128074
LogD (pH = 7.4)
2.2128084
Log P
2.2128084
Molar Refractivity
64.89
Polarizability
23.024555
Polar Surface Area
89.42
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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