3-[[(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]thiophene-2-carboxamide

Formula:C13H10N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]thiophene-2-carboxamide is a drug-like molecule.

MolName	3-[[(E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoyl]amino]thiophene-2-carboxamide
MolecularFormula	C13H10N4O2S
Smiles	NC(c(scc1)c1NC(/C(/C#N)=C/c1ccc[nH]1)=O)=O
InChI	InChI=1S/C13H10N4O2S/c14-7-8(6-9-2-1-4-16-9)13(19)17-10-3-5-20-11(10)12(15)18/h1-6,16H,(H2,15,18)(H,17,19)
InChIK	LCOLHPNLSAKZEC-UHFFFAOYSA-N
TotalMolweight	286.314
Molweight	286.314
MonoisotopicMass	286.052446
CLogP	0.7187
CLogS	-2.917
H Acceptors	6
H Donors	3
TotalSurfaceArea	220.43
Relative PSA	0.45693
PolarSurfaceArea	140.01
Druglikeness	0.52653
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Amides	2
Aromatic Nitrogens	1
StereoCon

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