6-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2,3-dihydro-1,4-benzodioxine

Formula:C18H16O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2,3-dihydro-1,4-benzodioxine is a drug-like molecule.

MolName	6-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2,3-dihydro-1,4-benzodioxine
MolecularFormula	C18H16O4
Smiles	C1Oc(ccc(/C=C/c(cc2)cc3c2OCCO3)c2)c2OC1
InChI	InChI=1S/C18H16O4/c1(13-3-5-15-17(11-13)21-9-7-19-15)2-14-4-6-16-18(12-14)22-10-8-20-16/h1-6,11-12H,7-10H2
InChIK	NHYUUMHHFNGVFN-UHFFFAOYSA-N
TotalMolweight	296.321
Molweight	296.321
MonoisotopicMass	296.10486
CLogP	3.8242
CLogS	-4.116
H Acceptors	4
TotalSurfaceArea	227.56
Relative PSA	0.17578
PolarSurfaceArea	36.92
Druglikeness	-8.8151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	11
StereoCon

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