(Z)-4-anilino-4-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-one

Formula:C16H11NOBrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-anilino-4-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.

MolName	(Z)-4-anilino-4-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-one
MolecularFormula	C16H11NOBrF3
Smiles	O=C(C(F)(F)F)/C=C(/c(cc1)ccc1Br)\Nc1ccccc1
InChI	InChI=1S/C16H11BrF3NO/c17-12-8-6-11(7-9-12)14(10-15(22)16(18,19)20)21-13-4-2-1-3-5-13/h1-10,21H
InChIK	UUPDDGVCWUYWDV-UHFFFAOYSA-N
TotalMolweight	370.167
Molweight	370.167
MonoisotopicMass	368.997609
CLogP	4.3184
CLogS	-5.052
H Acceptors	2
H Donors	1
TotalSurfaceArea	235.03
Relative PSA	0.10424
PolarSurfaceArea	29.1
Druglikeness	-33.547
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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