(2-anilino-2-oxoethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Formula:C19H17NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-anilino-2-oxoethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is a drug-like molecule.

MolName	(2-anilino-2-oxoethyl) (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
MolecularFormula	C19H17NO5
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCCO2)=O)Nc1ccccc1
InChI	InChI=1S/C19H17NO5/c21-18(20-15-4-2-1-3-5-15)13-25-19(22)9-7-14-6-8-16-17(12-14)24-11-10-23-16/h1-9,12H,10-11,13H2,(H,20,21)
InChIK	MREMDUUEGICFQC-UHFFFAOYSA-N
TotalMolweight	339.346
Molweight	339.346
MonoisotopicMass	339.110674
CLogP	2.673
CLogS	-3.583
H Acceptors	6
H Donors	1
TotalSurfaceArea	264.26
Relative PSA	0.25558
PolarSurfaceArea	73.86
Druglikeness	-6.7864
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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