(E)-3,3,3-trifluoro-1-hydroxy-1-(4-nitrophenoxy)prop-1-ene-2-diazonium

Formula:C9H5N3O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3,3,3-trifluoro-1-hydroxy-1-(4-nitrophenoxy)prop-1-ene-2-diazonium is a drug-like molecule.

MolName	(E)-3,3,3-trifluoro-1-hydroxy-1-(4-nitrophenoxy)prop-1-ene-2-diazonium
MolecularFormula	C9H5N3O4F3
Smiles	N#[N+]/C(/C(F)(F)F)=C(\O)/Oc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C9H4F3N3O4/c10-9(11,12)7(14-13)8(16)19-6-3-1-5(2-4-6)15(17)18/h1-4H/p+1
InChIK	YHJZWYNRTYKWEC-UHFFFAOYSA-O
TotalMolweight	276.15
Molweight	276.15
MonoisotopicMass	276.023216
CLogP	1.6781
CLogS	-4.656
H Acceptors	7
H Donors	1
TotalSurfaceArea	190.23
Relative PSA	0.44599
PolarSurfaceArea	103.43
Druglikeness	-15.636
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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