N'-anilino-4-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
Formula:C19H14N6O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-anilino-4-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-anilino-4-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide |
| MolecularFormula | C19H14N6O4 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/N=N/c(cc1)ccc1[N+]([O-])=O)=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C19H14N6O4/c26-24(27)17-10-6-14(7-11-17)19(22-20-15-4-2-1-3-5-15)23-21-16-8-12-18(13-9-16)25(28)29/h1-13,20H |
| InChIK | CAVOFCFJPWOVKO-UHFFFAOYSA-N |
| TotalMolweight | 390.358 |
| Molweight | 390.358 |
| MonoisotopicMass | 390.107654 |
| CLogP | 4.7119 |
| CLogS | -5.878 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 297.57 |
| Relative PSA | 0.35901 |
| PolarSurfaceArea | 140.75 |
| Druglikeness | -8.5389 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; azo |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 2 |
| StereoCon |
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