3-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C19H9N2O3F7 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	3-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C19H9N2O3F7
Smiles	OC(c1cccc(-c2ccc(/C=N\Nc(c(F)c(c(C(F)(F)F)c3F)F)c3F)o2)c1)=O
InChI	InChI=1S/C19H9F7N2O3/c20-13-12(19(24,25)26)14(21)16(23)17(15(13)22)28-27-7-10-4-5-11(31-10)8-2-1-3-9(6-8)18(29)30/h1-7,28H,(H,29,30)
InChIK	ITFXPTPWBOVMQQ-UHFFFAOYSA-N
TotalMolweight	446.277
Molweight	446.277
MonoisotopicMass	446.050139
CLogP	6.5164
CLogS	-6.656
H Acceptors	5
H Donors	2
TotalSurfaceArea	297.65
Relative PSA	0.2124
PolarSurfaceArea	74.83
Druglikeness	-2.9624
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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