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

Formula:C14H9NO4F2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2,6-difluorobenzoate is a drug-like molecule.

MolName	[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2,6-difluorobenzoate
MolecularFormula	C14H9NO4F2S2
Smiles	O=C(c(c(F)ccc1)c1F)O/N=C(/CC1)\c(ccs2)c2S1(=O)=O
InChI	InChI=1S/C14H9F2NO4S2/c15-9-2-1-3-10(16)12(9)13(18)21-17-11-5-7-23(19,20)14-8(11)4-6-22-14/h1-4,6H,5,7H2
InChIK	VJFADQDUTNOAQI-UHFFFAOYSA-N
TotalMolweight	357.356
Molweight	357.356
MonoisotopicMass	356.994105
CLogP	2.9804
CLogS	-5.141
H Acceptors	5
TotalSurfaceArea	234.98
Relative PSA	0.35531
PolarSurfaceArea	109.42
Druglikeness	-6.9905
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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

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