[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C19H16NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C19H16NO5Cl
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCO2)=O)NCc(cccc1)c1Cl
InChI	InChI=1S/C19H16ClNO5/c20-15-4-2-1-3-14(15)10-21-18(22)11-24-19(23)8-6-13-5-7-16-17(9-13)26-12-25-16/h1-9H,10-12H2,(H,21,22)
InChIK	QYSIUCVWQGKREV-UHFFFAOYSA-N
TotalMolweight	373.791
Molweight	373.791
MonoisotopicMass	373.071701
CLogP	3.121
CLogS	-4.664
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.68
Relative PSA	0.24149
PolarSurfaceArea	73.86
Druglikeness	0.63431
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
StereoCon

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