4,6-bis[(E)-2-(4-bromophenyl)ethenyl]-1H-pyrimidin-2-one

Formula:C20H14N2OBr2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4,6-bis[(E)-2-(4-bromophenyl)ethenyl]-1H-pyrimidin-2-one is not a drug-like molecule.

MolName	4,6-bis[(E)-2-(4-bromophenyl)ethenyl]-1H-pyrimidin-2-one
MolecularFormula	C20H14N2OBr2
Smiles	O=C1N=C(/C=C/c(cc2)ccc2Br)C=C(/C=C/c(cc2)ccc2Br)N1
InChI	InChI=1S/C20H14Br2N2O/c21-16-7-1-14(2-8-16)5-11-18-13-19(24-20(25)23-18)12-6-15-3-9-17(22)10-4-15/h1-13H,(H,23,24,25)
InChIK	YDKUBJOLXLNFHR-UHFFFAOYSA-N
TotalMolweight	458.152
Molweight	458.152
MonoisotopicMass	455.947285
CLogP	5.5653
CLogS	-6.767
H Acceptors	3
H Donors	1
TotalSurfaceArea	286.67
Relative PSA	0.12561
PolarSurfaceArea	41.46
Druglikeness	-0.079258
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
Amides	1
BasicNitrogens	1
StereoCon

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