(E)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

Formula:C20H13N2O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C20H13N2O2ClS2
Smiles	N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c1ccc(Sc(cc2)ccc2Cl)s1
InChI	InChI=1S/C20H13ClN2O2S2/c21-14-1-7-17(8-2-14)26-19-10-9-18(27-19)11-13(12-22)20(25)23-15-3-5-16(24)6-4-15/h1-11,24H,(H,23,25)
InChIK	KEEJDOVROQQRFH-UHFFFAOYSA-N
TotalMolweight	412.92
Molweight	412.92
MonoisotopicMass	412.010695
CLogP	5.141
CLogS	-6.023
H Acceptors	4
H Donors	2
TotalSurfaceArea	303.61
Relative PSA	0.29317
PolarSurfaceArea	126.66
Druglikeness	-0.57979
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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