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

Formula:C14H10O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C14H10O4
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c1ccco1
InChI	InChI=1S/C14H10O4/c15-11(12-2-1-7-16-12)5-3-10-4-6-13-14(8-10)18-9-17-13/h1-8H,9H2
InChIK	HBXJOSUNFKXJOK-UHFFFAOYSA-N
TotalMolweight	242.229
Molweight	242.229
MonoisotopicMass	242.05791
CLogP	2.6039
CLogS	-4.233
H Acceptors	4
TotalSurfaceArea	187.22
Relative PSA	0.25184
PolarSurfaceArea	48.67
Druglikeness	0.64435
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
StereoCon

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