5-nitro-2-[4-[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-benzimidazol-3-ium-2-yl]phenyl]isoindole-1,3-dione

Formula:C29H15N6O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-2-[4-[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-benzimidazol-3-ium-2-yl]phenyl]isoindole-1,3-dione is not a drug-like molecule.

MolName	5-nitro-2-[4-[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-benzimidazol-3-ium-2-yl]phenyl]isoindole-1,3-dione
MolecularFormula	C29H15N6O8
Smiles	[O-][N+](c(cc1)cc(C(N2c(cc3)ccc3-c3[nH+]c(ccc(N(C(c(cc4)c5cc4[N+]([O-])=O)=O)C5=O)c4)c4[nH]3)=O)c1C2=O)=O
InChI	InChI=1S/C29H14N6O8/c36-26-19-8-5-17(34(40)41)11-21(19)28(38)32(26)15-3-1-14(2-4-15)25-30-23-10-7-16(13-24(23)31-25)33-27(37)20-9-6-18(35(42)43)12-22(20)29(33)39/h1-13H,(H,30,31)/p+1
InChIK	AUDKWNJHGXPRTH-UHFFFAOYSA-O
TotalMolweight	575.472
Molweight	575.472
MonoisotopicMass	575.095139
CLogP	2.3581
CLogS	-8.6
H Acceptors	14
H Donors	2
TotalSurfaceArea	376.44
Relative PSA	0.35621
PolarSurfaceArea	196.33
Druglikeness	-3.5678
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53488
Fragments	1
Non HAtoms	43
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 5-nitro-2-[4-[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-benzimidazol-3-ium-2-yl]phenyl]isoindole-1,3-dione | 2 - 5-nitro-2-[4-[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-benzimidazol-3-ium-2-yl]phenyl]isoindole-1,3-dione

Request More Details | 5-nitro-2-[4-[6-(5-nitro-1,3-dioxoisoindol-2-yl)-1H-benzimidazol-3-ium-2-yl]phenyl]isoindole-1,3-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments