(E)-1-(4-bromophenyl)-3-(3-fluoroanilino)prop-2-en-1-one

Formula:C15H11NOBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-bromophenyl)-3-(3-fluoroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-(3-fluoroanilino)prop-2-en-1-one
MolecularFormula	C15H11NOBrF
Smiles	O=C(/C=C/Nc1cc(F)ccc1)c(cc1)ccc1Br
InChI	InChI=1S/C15H11BrFNO/c16-12-6-4-11(5-7-12)15(19)8-9-18-14-3-1-2-13(17)10-14/h1-10,18H
InChIK	NZECJXJEHLQEIL-UHFFFAOYSA-N
TotalMolweight	320.16
Molweight	320.16
MonoisotopicMass	319.000803
CLogP	3.3005
CLogS	-4.934
H Acceptors	2
H Donors	1
TotalSurfaceArea	213.71
Relative PSA	0.11464
PolarSurfaceArea	29.1
Druglikeness	-2.5447
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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