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

Formula:C26H24N2O2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C26H24N2O2BrF
Smiles	O=C(/C=C/c(cc1)ccc1OCc(cc1)ccc1Br)N(CC1)CCN1c(cccc1)c1F
InChI	InChI=1S/C26H24BrFN2O2/c27-22-10-5-21(6-11-22)19-32-23-12-7-20(8-13-23)9-14-26(31)30-17-15-29(16-18-30)25-4-2-1-3-24(25)28/h1-14H,15-19H2
InChIK	APMUQZNRWYHXAJ-UHFFFAOYSA-N
TotalMolweight	495.391
Molweight	495.391
MonoisotopicMass	494.100517
CLogP	5.4418
CLogS	-5.532
H Acceptors	4
TotalSurfaceArea	347.91
Relative PSA	0.086632
PolarSurfaceArea	32.78
Druglikeness	2.0067
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
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	7
Symmetricatoms	6
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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