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

Formula:C16H8N2OF6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enethioamide is a drug-like molecule.

MolName	(E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enethioamide
MolecularFormula	C16H8N2OF6S
Smiles	NC(/C(/C#N)=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)=S
InChI	InChI=1S/C16H8F6N2OS/c17-15(18,19)10-3-8(4-11(6-10)16(20,21)22)13-2-1-12(25-13)5-9(7-23)14(24)26/h1-6H,(H2,24,26)
InChIK	ZUQIIMJFUWWUPT-UHFFFAOYSA-N
TotalMolweight	390.307
Molweight	390.307
MonoisotopicMass	390.026151
CLogP	4.0366
CLogS	-6.3
H Acceptors	3
H Donors	1
TotalSurfaceArea	269.28
Relative PSA	0.26344
PolarSurfaceArea	95.04
Druglikeness	-10.875
Mutagenic	high
Tumorigenic	high
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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