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

Formula:C14H10NO4FS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-fluorobenzoate is a drug-like molecule.

MolName	[(Z)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 4-fluorobenzoate
MolecularFormula	C14H10NO4FS2
Smiles	O=C(c(cc1)ccc1F)O/N=C(/CC1)\c(ccs2)c2S1(=O)=O
InChI	InChI=1S/C14H10FNO4S2/c15-10-3-1-9(2-4-10)13(17)20-16-12-6-8-22(18,19)14-11(12)5-7-21-14/h1-5,7H,6,8H2
InChIK	HENDMTCYEGNXJM-UHFFFAOYSA-N
TotalMolweight	339.366
Molweight	339.366
MonoisotopicMass	339.003527
CLogP	2.8796
CLogS	-4.827
H Acceptors	5
TotalSurfaceArea	228.63
Relative PSA	0.36518
PolarSurfaceArea	109.42
Druglikeness	-4.4788
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	3
StereoCon

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

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