[2-(2,5-dichloroanilino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Formula:C19H15NO5Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high [2-(2,5-dichloroanilino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,5-dichloroanilino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
MolecularFormula	C19H15NO5Cl2
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCCO2)=O)Nc(cc(cc1)Cl)c1Cl
InChI	InChI=1S/C19H15Cl2NO5/c20-13-3-4-14(21)15(10-13)22-18(23)11-27-19(24)6-2-12-1-5-16-17(9-12)26-8-7-25-16/h1-6,9-10H,7-8,11H2,(H,22,23)
InChIK	FPVKJFNNNAKNFU-UHFFFAOYSA-N
TotalMolweight	408.236
Molweight	408.236
MonoisotopicMass	407.032728
CLogP	3.885
CLogS	-5.055
H Acceptors	6
H Donors	1
TotalSurfaceArea	295.1
Relative PSA	0.22887
PolarSurfaceArea	73.86
Druglikeness	-6.7083
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
StereoCon

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