6-nitro-2-[(E)-2-(6-nitro-1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole

Formula:C16H10N6O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-nitro-2-[(E)-2-(6-nitro-1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole is a drug-like molecule.

MolName	6-nitro-2-[(E)-2-(6-nitro-1H-benzimidazol-2-yl)ethenyl]-1H-benzimidazole
MolecularFormula	C16H10N6O4
Smiles	[O-][N+](c(cc1)cc2c1nc(/C=C/c1nc(ccc([N+]([O-])=O)c3)c3[nH]1)[nH]2)=O
InChI	InChI=1S/C16H10N6O4/c23-21(24)9-1-3-11-13(7-9)19-15(17-11)5-6-16-18-12-4-2-10(22(25)26)8-14(12)20-16/h1-8H,(H,17,19)(H,18,20)
InChIK	FWYHFLAUIONOGN-UHFFFAOYSA-N
TotalMolweight	350.293
Molweight	350.293
MonoisotopicMass	350.076354
CLogP	0.6608
CLogS	-3.662
H Acceptors	10
H Donors	2
TotalSurfaceArea	252.72
Relative PSA	0.43827
PolarSurfaceArea	149
Druglikeness	-5.1535
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	13
Aromatic Nitrogens	4
BasicNitrogens	2
AcidicOxygens	2
StereoCon

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