(E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide

Formula:C14H13NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
MolecularFormula	C14H13NO4S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NC(CCS1)C1=O
InChI	InChI=1S/C14H13NO4S/c16-13(15-10-5-6-20-14(10)17)4-2-9-1-3-11-12(7-9)19-8-18-11/h1-4,7,10H,5-6,8H2,(H,15,16)/t10-/m1/s1
InChIK	PMARQFGAMVHOIN-SNVBAGLBSA-N
TotalMolweight	291.326
Molweight	291.326
MonoisotopicMass	291.056529
CLogP	1.3367
CLogS	-2.953
H Acceptors	5
H Donors	1
TotalSurfaceArea	210.99
Relative PSA	0.35561
PolarSurfaceArea	89.93
Druglikeness	0.48472
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amides	1
StereoCon	racemate

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