(E)-3-(2,4-dichlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]prop-2-enamide

Formula:C13H13NO3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]prop-2-enamide
MolecularFormula	C13H13NO3Cl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)N[C@@H](CC1)CS1(=O)=O
InChI	InChI=1S/C13H13Cl2NO3S/c14-10-3-1-9(12(15)7-10)2-4-13(17)16-11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8H2,(H,16,17)/t11-/m0/s1
InChIK	HOUAEGPXYSVIQJ-NSHDSACASA-N
TotalMolweight	334.222
Molweight	334.222
MonoisotopicMass	332.999318
CLogP	2.0033
CLogS	-4.007
H Acceptors	4
H Donors	1
TotalSurfaceArea	228.67
Relative PSA	0.23212
PolarSurfaceArea	71.62
Druglikeness	-0.87234
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	1
Amides	1
StereoCon	this enantiomer

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