(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-2-cyanoprop-2-enethioamide

Formula:C16H8N2F6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-2-cyanoprop-2-enethioamide is a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-2-cyanoprop-2-enethioamide
MolecularFormula	C16H8N2F6S2
Smiles	NC(/C(/C#N)=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)=S
InChI	InChI=1S/C16H8F6N2S2/c17-15(18,19)10-3-8(4-11(6-10)16(20,21)22)13-2-1-12(26-13)5-9(7-23)14(24)25/h1-6H,(H2,24,25)
InChIK	PBHMEBUNZAPZLU-UHFFFAOYSA-N
TotalMolweight	406.374
Molweight	406.374
MonoisotopicMass	406.003306
CLogP	4.8626
CLogS	-6.957
H Acceptors	2
H Donors	1
TotalSurfaceArea	275.53
Relative PSA	0.28015
PolarSurfaceArea	110.14
Druglikeness	-10.807
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	8
StereoCon

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