(9Z)-N-(1,3-benzothiazol-2-yl)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxamide

Formula:C21H11N5O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none (9Z)-N-(1,3-benzothiazol-2-yl)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxamide is not a drug-like molecule.

MolName	(9Z)-N-(1,3-benzothiazol-2-yl)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxamide
MolecularFormula	C21H11N5O6S
Smiles	[O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=N/O)c1-c2c3C(Nc1nc(cccc2)c2s1)=O)=O
InChI	InChI=1S/C21H11N5O6S/c27-20(23-21-22-16-3-1-2-4-17(16)33-21)15-9-11(26(31)32)8-14-18(15)12-6-5-10(25(29)30)7-13(12)19(14)24-28/h1-9,28H,(H,22,23,27)
InChIK	IXFAJNHDKUJJHW-UHFFFAOYSA-N
TotalMolweight	461.413
Molweight	461.413
MonoisotopicMass	461.043005
CLogP	3.904
CLogS	-8.49
H Acceptors	11
H Donors	2
TotalSurfaceArea	314.45
Relative PSA	0.44929
PolarSurfaceArea	194.46
Druglikeness	-3.7318
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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