[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C16H13NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H13NO5
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)c1ccc[nH]1
InChI	InChI=1S/C16H13NO5/c18-13(12-2-1-7-17-12)9-20-16(19)6-4-11-3-5-14-15(8-11)22-10-21-14/h1-8,17H,9-10H2
InChIK	HJMOYKCYYPJGEE-UHFFFAOYSA-N
TotalMolweight	299.281
Molweight	299.281
MonoisotopicMass	299.079374
CLogP	1.7496
CLogS	-3.502
H Acceptors	6
H Donors	1
TotalSurfaceArea	228.61
Relative PSA	0.3065
PolarSurfaceArea	77.62
Druglikeness	1.119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Aromatic Nitrogens	1
StereoCon

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