(E)-3-(5-chloro-2-hydroxy-3-iodophenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Formula:C19H13N3O2ClIS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-chloro-2-hydroxy-3-iodophenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(5-chloro-2-hydroxy-3-iodophenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C19H13N3O2ClIS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c1cc(Cl)cc(I)c1O
InChI	InChI=1S/C19H13ClIN3O2S/c20-12-6-10(17(25)15(21)7-12)5-11(8-22)18(26)24-19-14(9-23)13-3-1-2-4-16(13)27-19/h5-7,25H,1-4H2,(H,24,26)
InChIK	OTIVDLBOHCLIGT-UHFFFAOYSA-N
TotalMolweight	509.75
Molweight	509.75
MonoisotopicMass	508.946172
CLogP	4.7343
CLogS	-7.251
H Acceptors	5
H Donors	2
TotalSurfaceArea	315.89
Relative PSA	0.26933
PolarSurfaceArea	125.15
Druglikeness	-4.6832
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
StereoCon

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1 - (E)-3-(5-chloro-2-hydroxy-3-iodophenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide | 2 - (E)-3-(5-chloro-2-hydroxy-3-iodophenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

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