4-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
Formula:C19H13N7O6
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
4-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide is not a drug-like molecule.
| MolName | 4-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide |
| MolecularFormula | C19H13N7O6 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/N=N/c(cc1)ccc1[N+]([O-])=O)=N\Nc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C19H13N7O6/c27-24(28)16-7-1-13(2-8-16)19(22-20-14-3-9-17(10-4-14)25(29)30)23-21-15-5-11-18(12-6-15)26(31)32/h1-12,20H |
| InChIK | FNMJIZPDMWPTBT-UHFFFAOYSA-N |
| TotalMolweight | 435.355 |
| Molweight | 435.355 |
| MonoisotopicMass | 435.092733 |
| CLogP | 3.7903 |
| CLogS | -6.338 |
| H Acceptors | 13 |
| H Donors | 1 |
| TotalSurfaceArea | 321.24 |
| Relative PSA | 0.42725 |
| PolarSurfaceArea | 186.57 |
| Druglikeness | -8.5389 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; azo |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 3 |
| StereoCon |
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