(E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one

Formula:C17H12O5 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1,3-bis(1,3-benzodioxol-5-yl)prop-2-en-1-one
MolecularFormula	C17H12O5
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H12O5/c18-13(12-3-6-15-17(8-12)22-10-20-15)4-1-11-2-5-14-16(7-11)21-9-19-14/h1-8H,9-10H2
InChIK	BJVBIPGXQAUWBA-UHFFFAOYSA-N
TotalMolweight	296.277
Molweight	296.277
MonoisotopicMass	296.068475
CLogP	3.5266
CLogS	-5.262
H Acceptors	5
TotalSurfaceArea	217.79
Relative PSA	0.24354
PolarSurfaceArea	53.99
Druglikeness	0.0575
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
StereoCon

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