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

Formula:C13H14NO3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]prop-2-enamide
MolecularFormula	C13H14NO3ClS
Smiles	O=C(/C=C/c(cccc1)c1Cl)N[C@@H](CC1)CS1(=O)=O
InChI	InChI=1S/C13H14ClNO3S/c14-12-4-2-1-3-10(12)5-6-13(16)15-11-7-8-19(17,18)9-11/h1-6,11H,7-9H2,(H,15,16)/t11-/m0/s1
InChIK	GFPKHNPIANRRGN-NSHDSACASA-N
TotalMolweight	299.777
Molweight	299.777
MonoisotopicMass	299.038291
CLogP	1.3973
CLogS	-3.271
H Acceptors	4
H Donors	1
TotalSurfaceArea	213.25
Relative PSA	0.24891
PolarSurfaceArea	71.62
Druglikeness	-1.2992
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
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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