[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2-(trifluoromethyl)benzoate

Formula:C15H10NO4F3S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2-(trifluoromethyl)benzoate is a drug-like molecule.

MolName	[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2-(trifluoromethyl)benzoate
MolecularFormula	C15H10NO4F3S2
Smiles	O=C(c1c(C(F)(F)F)cccc1)O/N=C(/CC1)\c(ccs2)c2S1(=O)=O
InChI	InChI=1S/C15H10F3NO4S2/c16-15(17,18)11-4-2-1-3-9(11)13(20)23-19-12-6-8-25(21,22)14-10(12)5-7-24-14/h1-5,7H,6,8H2
InChIK	ADFIWHZBXUHYCI-UHFFFAOYSA-N
TotalMolweight	389.373
Molweight	389.373
MonoisotopicMass	389.000333
CLogP	3.6271
CLogS	-5.291
H Acceptors	5
TotalSurfaceArea	251.74
Relative PSA	0.33165
PolarSurfaceArea	109.42
Druglikeness	-16.923
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	3
StereoCon

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1 - [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2-(trifluoromethyl)benzoate | 2 - [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2-(trifluoromethyl)benzoate

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