(E)-4,4,4-trifluoro-3-phenoxy-2-phenylbut-2-enenitrile

Formula:C16H10NOF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4,4,4-trifluoro-3-phenoxy-2-phenylbut-2-enenitrile is a drug-like molecule.

MolName	(E)-4,4,4-trifluoro-3-phenoxy-2-phenylbut-2-enenitrile
MolecularFormula	C16H10NOF3
Smiles	N#C/C(/c1ccccc1)=C(\C(F)(F)F)/Oc1ccccc1
InChI	InChI=1S/C16H10F3NO/c17-16(18,19)15(21-13-9-5-2-6-10-13)14(11-20)12-7-3-1-4-8-12/h1-10H
InChIK	HURUEEUTJGXVJA-UHFFFAOYSA-N
TotalMolweight	289.255
Molweight	289.255
MonoisotopicMass	289.071448
CLogP	4.4792
CLogS	-4.529
H Acceptors	2
TotalSurfaceArea	217.11
Relative PSA	0.10852
PolarSurfaceArea	33.02
Druglikeness	-14.613
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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