2,2,3,3,4,4,5,5-octafluoropentyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate

Formula:C19H9N3O7F8 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2,2,3,3,4,4,5,5-octafluoropentyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate is not a drug-like molecule.

MolName	2,2,3,3,4,4,5,5-octafluoropentyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate
MolecularFormula	C19H9N3O7F8
Smiles	[O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=N\O)c1-c2c3C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)=O
InChI	InChI=1S/C19H9F8N3O7/c20-16(21)18(24,25)19(26,27)17(22,23)6-37-15(31)12-5-8(30(35)36)4-11-13(12)9-2-1-7(29(33)34)3-10(9)14(11)28-32/h1-5,16,32H,6H2
InChIK	MMCVADODFDDANY-UHFFFAOYSA-N
TotalMolweight	543.278
Molweight	543.278
MonoisotopicMass	543.031276
CLogP	4.1682
CLogS	-9.077
H Acceptors	10
H Donors	1
TotalSurfaceArea	332.22
Relative PSA	0.32656
PolarSurfaceArea	150.53
Druglikeness	-50.423
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	18
Electronegative Atoms	18
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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1 - 2,2,3,3,4,4,5,5-octafluoropentyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate | 2 - 2,2,3,3,4,4,5,5-octafluoropentyl (9E)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylate

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