Molecule

ID:34444

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈F₂N₂O₃
Molecular Mass
266.2003264
Exact Mass
266.05029857
Charge
0
InChI
InChI=1S/C12H8F2N2O3/c13-7-1-2-12(11(14)3-7)19-10-5-8(15)4-9(6-10)16(17)18/h1-6H,15H2
InChIKey
GKLDSHJWEFVOCI-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Oc2ccc(cc2F)F)cc(c1)[N+](=O)[O-]
Isomeric Smiles
c1(cc(cc(c1)N)Oc1c(cc(cc1)F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8699658
LogD (pH = 7.4)
2.8699946
Log P
2.869995
Molar Refractivity
64.7567
Polarizability
23.184082
Polar Surface Area
81.07
Rotatable Bonds
3
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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