(E)-3-(4-bromophenyl)-1-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one

Formula:C22H20N2O2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-bromophenyl)-1-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-1-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C22H20N2O2Br2
Smiles	O=C(/C=C/c(cc1)ccc1Br)N(CC1)CCN1C(/C=C/c(cc1)ccc1Br)=O
InChI	InChI=1S/C22H20Br2N2O2/c23-19-7-1-17(2-8-19)5-11-21(27)25-13-15-26(16-14-25)22(28)12-6-18-3-9-20(24)10-4-18/h1-12H,13-16H2
InChIK	UBOUAAROCZCYGU-UHFFFAOYSA-N
TotalMolweight	504.221
Molweight	504.221
MonoisotopicMass	501.98915
CLogP	5.0526
CLogS	-4.688
H Acceptors	4
TotalSurfaceArea	320.92
Relative PSA	0.10339
PolarSurfaceArea	40.62
Druglikeness	3.7148
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	17
Amides	2
StereoCon

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