(E)-4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one

Formula:C11H9NOClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one
MolecularFormula	C11H9NOClF3
Smiles	O=C(C(F)(F)F)/C=C/NCc1cccc(Cl)c1
InChI	InChI=1S/C11H9ClF3NO/c12-9-3-1-2-8(6-9)7-16-5-4-10(17)11(13,14)15/h1-6,16H,7H2
InChIK	LFRJAHSTRGCYEF-UHFFFAOYSA-N
TotalMolweight	263.645
Molweight	263.645
MonoisotopicMass	263.032475
CLogP	2.122
CLogS	-3.684
H Acceptors	2
H Donors	1
TotalSurfaceArea	187.61
Relative PSA	0.13059
PolarSurfaceArea	29.1
Druglikeness	-32.085
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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