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

Formula:C26H24N2O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C26H24N2O2BrCl
Smiles	O=C(/C=C/c(cc1)ccc1OCc(cc1)ccc1Br)N(CC1)CCN1c(cc1)ccc1Cl
InChI	InChI=1S/C26H24BrClN2O2/c27-22-6-1-21(2-7-22)19-32-25-12-3-20(4-13-25)5-14-26(31)30-17-15-29(16-18-30)24-10-8-23(28)9-11-24/h1-14H,15-19H2
InChIK	YTXNATZHEVTIDC-UHFFFAOYSA-N
TotalMolweight	511.846
Molweight	511.846
MonoisotopicMass	510.070966
CLogP	5.947
CLogS	-5.954
H Acceptors	4
TotalSurfaceArea	356.98
Relative PSA	0.08443
PolarSurfaceArea	32.78
Druglikeness	3.3696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	8
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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