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

Formula:C15H12NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3-aminophenyl)-3-(4-bromophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3-aminophenyl)-3-(4-bromophenyl)prop-2-en-1-one
MolecularFormula	C15H12NOBr
Smiles	Nc1cccc(C(/C=C/c(cc2)ccc2Br)=O)c1
InChI	InChI=1S/C15H12BrNO/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10H,17H2
InChIK	UWIJJFTUPXKKHR-UHFFFAOYSA-N
TotalMolweight	302.17
Molweight	302.17
MonoisotopicMass	301.010225
CLogP	3.3517
CLogS	-4.75
H Acceptors	2
H Donors	1
TotalSurfaceArea	204.42
Relative PSA	0.13849
PolarSurfaceArea	43.09
Druglikeness	-1.5167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

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