(E)-4-anilino-1,1,1-trifluoro-4-phenylbut-3-en-2-one

Formula:C16H12NOF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-anilino-1,1,1-trifluoro-4-phenylbut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-anilino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
MolecularFormula	C16H12NOF3
Smiles	O=C(C(F)(F)F)/C=C(\c1ccccc1)/Nc1ccccc1
InChI	InChI=1S/C16H12F3NO/c17-16(18,19)15(21)11-14(12-7-3-1-4-8-12)20-13-9-5-2-6-10-13/h1-11,20H
InChIK	XVJAELZOUWJPDB-UHFFFAOYSA-N
TotalMolweight	291.271
Molweight	291.271
MonoisotopicMass	291.087098
CLogP	3.5932
CLogS	-4.218
H Acceptors	2
H Donors	1
TotalSurfaceArea	216.4
Relative PSA	0.11322
PolarSurfaceArea	29.1
Druglikeness	-31.757
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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