3-[[(E)-2-cyano-3-(4-cyanophenyl)prop-2-enoyl]amino]thiophene-2-carboxamide

Formula:C16H10N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-cyano-3-(4-cyanophenyl)prop-2-enoyl]amino]thiophene-2-carboxamide is a drug-like molecule.

MolName	3-[[(E)-2-cyano-3-(4-cyanophenyl)prop-2-enoyl]amino]thiophene-2-carboxamide
MolecularFormula	C16H10N4O2S
Smiles	NC(c(scc1)c1NC(/C(/C#N)=C/c(cc1)ccc1C#N)=O)=O
InChI	InChI=1S/C16H10N4O2S/c17-8-11-3-1-10(2-4-11)7-12(9-18)16(22)20-13-5-6-23-14(13)15(19)21/h1-7H,(H2,19,21)(H,20,22)
InChIK	RHEGVIUOYUPXPU-UHFFFAOYSA-N
TotalMolweight	322.347
Molweight	322.347
MonoisotopicMass	322.052446
CLogP	1.7778
CLogS	-4.642
H Acceptors	6
H Donors	2
TotalSurfaceArea	252.57
Relative PSA	0.39708
PolarSurfaceArea	148.01
Druglikeness	0.46283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Amides	2
StereoCon

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