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

Formula:C10H8O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(1,3-benzodioxol-5-yl)-3-hydroxyprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1,3-benzodioxol-5-yl)-3-hydroxyprop-2-en-1-one
MolecularFormula	C10H8O4
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
InChIK	HMLNTTWRBGAZNB-UHFFFAOYSA-N
TotalMolweight	192.17
Molweight	192.17
MonoisotopicMass	192.04226
CLogP	0.9235
CLogS	-2.998
H Acceptors	4
H Donors	1
TotalSurfaceArea	144.12
Relative PSA	0.32015
PolarSurfaceArea	55.76
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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