(E)-3-(5-chlorothiophen-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile

Formula:C12H11N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-chlorothiophen-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(5-chlorothiophen-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
MolecularFormula	C12H11N2O2ClS
Smiles	N#C/C(/C(N1CCOCC1)=O)=C\c(s1)ccc1Cl
InChI	InChI=1S/C12H11ClN2O2S/c13-11-2-1-10(18-11)7-9(8-14)12(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2
InChIK	JKRSOXPDWRXTBX-UHFFFAOYSA-N
TotalMolweight	282.75
Molweight	282.75
MonoisotopicMass	282.022975
CLogP	2.1924
CLogS	-2.731
H Acceptors	4
TotalSurfaceArea	210.63
Relative PSA	0.28728
PolarSurfaceArea	81.57
Druglikeness	0.48129
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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