6-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]-1H-benzimidazole

Formula:C15H10N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]-1H-benzimidazole is a drug-like molecule.

MolName	6-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]-1H-benzimidazole
MolecularFormula	C15H10N4O4
Smiles	[O-][N+](c1ccc(/C=C/c2nc(ccc([N+]([O-])=O)c3)c3[nH]2)cc1)=O
InChI	InChI=1S/C15H10N4O4/c20-18(21)11-4-1-10(2-5-11)3-8-15-16-13-7-6-12(19(22)23)9-14(13)17-15/h1-9H,(H,16,17)
InChIK	STPWTFLJRZKJFV-UHFFFAOYSA-N
TotalMolweight	310.268
Molweight	310.268
MonoisotopicMass	310.070206
CLogP	1.3421
CLogS	-4.167
H Acceptors	8
H Donors	1
TotalSurfaceArea	229.79
Relative PSA	0.37338
PolarSurfaceArea	120.32
Druglikeness	-5.1535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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