[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

Formula:C15H15NO5Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C15H15NO5Cl2S
Smiles	O=C(COC(/C=C/c(cc1)cc(Cl)c1Cl)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C15H15Cl2NO5S/c16-12-3-1-10(7-13(12)17)2-4-15(20)23-8-14(19)18-11-5-6-24(21,22)9-11/h1-4,7,11H,5-6,8-9H2,(H,18,19)/t11-/m0/s1
InChIK	CDNRTSXPXMDUCB-NSHDSACASA-N
TotalMolweight	392.258
Molweight	392.258
MonoisotopicMass	391.004798
CLogP	1.5612
CLogS	-3.91
H Acceptors	6
H Donors	1
TotalSurfaceArea	270.18
Relative PSA	0.28174
PolarSurfaceArea	97.92
Druglikeness	-1.1066
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	1
Amides	1
StereoCon	racemate

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1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate

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