[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

Formula:C19H16NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
MolecularFormula	C19H16NO5Cl
Smiles	O=C(COC(/C=C/c(cc1)ccc1Cl)=O)Nc(cc1)cc2c1OCCO2
InChI	InChI=1S/C19H16ClNO5/c20-14-4-1-13(2-5-14)3-8-19(23)26-12-18(22)21-15-6-7-16-17(11-15)25-10-9-24-16/h1-8,11H,9-10,12H2,(H,21,22)
InChIK	GCGNLGAVWWFIQE-UHFFFAOYSA-N
TotalMolweight	373.791
Molweight	373.791
MonoisotopicMass	373.071701
CLogP	3.279
CLogS	-4.319
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.68
Relative PSA	0.24149
PolarSurfaceArea	73.86
Druglikeness	-6.7083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
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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1 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate

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