(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-olate

Formula:C10H7O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-olate is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-olate
MolecularFormula	C10H7O4
Smiles	[O-]/C=C/C(c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C10H8O4/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-5,11H,6H2/p-1
InChIK	HMLNTTWRBGAZNB-UHFFFAOYSA-M
TotalMolweight	191.162
Molweight	191.162
MonoisotopicMass	191.034435
CLogP	-1.1525
CLogS	-2.998
H Acceptors	4
TotalSurfaceArea	145.3
Relative PSA	0.32567
PolarSurfaceArea	58.59
Druglikeness	-0.1863
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	14
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
StereoCon

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