(E)-3-(2-bromoanilino)-1-(4-chlorophenyl)prop-2-en-1-one

Formula:C15H11NOBrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-bromoanilino)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-bromoanilino)-1-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C15H11NOBrCl
Smiles	O=C(/C=C/Nc(cccc1)c1Br)c(cc1)ccc1Cl
InChI	InChI=1S/C15H11BrClNO/c16-13-3-1-2-4-14(13)18-10-9-15(19)11-5-7-12(17)8-6-11/h1-10,18H
InChIK	BTJUQOFWXWIWIL-UHFFFAOYSA-N
TotalMolweight	336.615
Molweight	336.615
MonoisotopicMass	334.971252
CLogP	3.8057
CLogS	-5.356
H Acceptors	2
H Donors	1
TotalSurfaceArea	222.78
Relative PSA	0.10997
PolarSurfaceArea	29.1
Druglikeness	-1.132
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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