(Z)-4-(benzylamino)-1,1,1-trifluoro-4-(2-hydroxyphenyl)but-3-en-2-one

Formula:C17H14NO2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(benzylamino)-1,1,1-trifluoro-4-(2-hydroxyphenyl)but-3-en-2-one is a drug-like molecule.

MolName	(Z)-4-(benzylamino)-1,1,1-trifluoro-4-(2-hydroxyphenyl)but-3-en-2-one
MolecularFormula	C17H14NO2F3
Smiles	Oc(cccc1)c1/C(/NCc1ccccc1)=C/C(C(F)(F)F)=O
InChI	InChI=1S/C17H14F3NO2/c18-17(19,20)16(23)10-14(13-8-4-5-9-15(13)22)21-11-12-6-2-1-3-7-12/h1-10,21-22H,11H2
InChIK	RYAFWZQXQBHJJF-UHFFFAOYSA-N
TotalMolweight	321.297
Molweight	321.297
MonoisotopicMass	321.097663
CLogP	2.9569
CLogS	-3.738
H Acceptors	3
H Donors	2
TotalSurfaceArea	236.51
Relative PSA	0.15898
PolarSurfaceArea	49.33
Druglikeness	-31.29
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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