(E)-2-cyano-N-(3-iodophenyl)-3-thiophen-2-ylprop-2-enamide

Formula:C14H9N2OIS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(3-iodophenyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(3-iodophenyl)-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C14H9N2OIS
Smiles	N#C/C(/C(Nc1cccc(I)c1)=O)=C\c1cccs1
InChI	InChI=1S/C14H9IN2OS/c15-11-3-1-4-12(8-11)17-14(18)10(9-16)7-13-5-2-6-19-13/h1-8H,(H,17,18)
InChIK	KWDRLUBUVQVRNZ-UHFFFAOYSA-N
TotalMolweight	380.204
Molweight	380.204
MonoisotopicMass	379.948031
CLogP	3.292
CLogS	-4.796
H Acceptors	3
H Donors	1
TotalSurfaceArea	230.87
Relative PSA	0.25304
PolarSurfaceArea	81.13
Druglikeness	0.2773
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Amides	1
StereoCon

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