(1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione

Formula:C21H16O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione is a drug-like molecule.

MolName	(1E,6E)-1,7-bis(1,3-benzodioxol-5-yl)hepta-1,6-diene-3,5-dione
MolecularFormula	C21H16O6
Smiles	O=C(CC(/C=C/c(cc1)cc2c1OCO2)=O)/C=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C21H16O6/c22-16(5-1-14-3-7-18-20(9-14)26-12-24-18)11-17(23)6-2-15-4-8-19-21(10-15)27-13-25-19/h1-10H,11-13H2
InChIK	RAKTYHYXXBELPJ-UHFFFAOYSA-N
TotalMolweight	364.352
Molweight	364.352
MonoisotopicMass	364.09469
CLogP	4.0032
CLogS	-5.6
H Acceptors	6
TotalSurfaceArea	275.8
Relative PSA	0.23959
PolarSurfaceArea	71.06
Druglikeness	-4.9289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	13
StereoCon

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