2-(1,3-benzodioxol-5-yl)-4,6-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pyrimidine

Formula:C29H20N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(1,3-benzodioxol-5-yl)-4,6-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pyrimidine is not a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-yl)-4,6-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]pyrimidine
MolecularFormula	C29H20N2O6
Smiles	C1Oc(cc(/C=C/c2nc(-c(cc3)cc4c3OCO4)nc(/C=C/c(cc3)cc4c3OCO4)c2)cc2)c2O1
InChI	InChI=1S/C29H20N2O6/c1(18-3-8-23-26(11-18)35-15-32-23)6-21-14-22(7-2-19-4-9-24-27(12-19)36-16-33-24)31-29(30-21)20-5-10-25-28(13-20)37-17-34-25/h1-14H,15-17H2
InChIK	DFFSYFCETIXFMJ-UHFFFAOYSA-N
TotalMolweight	492.486
Molweight	492.486
MonoisotopicMass	492.132138
CLogP	6.5956
CLogS	-9.21
H Acceptors	8
TotalSurfaceArea	363.84
Relative PSA	0.22521
PolarSurfaceArea	81.16
Druglikeness	-1.4481
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	9
Symmetricatoms	13
Aromatic Nitrogens	2
StereoCon

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