3-phenyl-4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-2H-oxadiazol-3-ium-5-one

Formula:C18H12N2O3F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-phenyl-4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-2H-oxadiazol-3-ium-5-one is a drug-like molecule.

MolName	3-phenyl-4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-2H-oxadiazol-3-ium-5-one
MolecularFormula	C18H12N2O3F3
Smiles	O=C(/C=C/c1ccc(C(F)(F)F)cc1)C1=[N+](c2ccccc2)NOC1=O
InChI	InChI=1S/C18H11F3N2O3/c19-18(20,21)13-9-6-12(7-10-13)8-11-15(24)16-17(25)26-22-23(16)14-4-2-1-3-5-14/h1-11H/p+1
InChIK	DDNPZBPYIXQWJA-UHFFFAOYSA-O
TotalMolweight	361.298
Molweight	361.298
MonoisotopicMass	361.080002
CLogP	3.3614
CLogS	-4.666
H Acceptors	5
H Donors	1
TotalSurfaceArea	245.45
Relative PSA	0.1725
PolarSurfaceArea	58.41
Druglikeness	-12.414
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	6
StereoCon

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