1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid

Formula:C14H6N2O14S2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid is not a drug-like molecule.

MolName	1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid
MolecularFormula	C14H6N2O14S2
Smiles	[O-][N+](c(c(C(c(c1c(c(S(O)(=O)=O)c2)[N+]([O-])=O)c2O)=O)c2C1=O)cc(S(O)(=O)=O)c2O)=O
InChI	InChI=1S/C14H6N2O14S2/c17-4-2-5(31(25,26)27)11(16(23)24)9-8(4)13(19)7-3(15(21)22)1-6(32(28,29)30)12(18)10(7)14(9)20/h1-2,17-18H,(H,25,26,27)(H,28,29,30)
InChIK	YEIIKKSKTYPMQJ-UHFFFAOYSA-N
TotalMolweight	490.334
Molweight	490.334
MonoisotopicMass	489.926048
CLogP	-3.9598
CLogS	-2.27
H Acceptors	16
H Donors	4
TotalSurfaceArea	284.92
Relative PSA	0.6896
PolarSurfaceArea	291.74
Druglikeness	-7.1219
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.34375
Fragments	1
Non HAtoms	32
NonCHAtoms	18
Electronegative Atoms	18
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	4
StereoCon

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