4-nitro-N-[(Z)-[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
Formula:C22H16N6O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H16N6O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1ccc(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)cc1)=O)=O |
| InChI | InChI=1S/C22H16N6O6/c29-21(17-5-9-19(10-6-17)27(31)32)25-23-13-15-1-2-16(4-3-15)14-24-26-22(30)18-7-11-20(12-8-18)28(33)34/h1-14H,(H,25,29)(H,26,30) |
| InChIK | UEBGMIJIDHXYDL-UHFFFAOYSA-N |
| TotalMolweight | 460.405 |
| Molweight | 460.405 |
| MonoisotopicMass | 460.113134 |
| CLogP | 2.9004 |
| CLogS | -6.746 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 348.06 |
| Relative PSA | 0.38172 |
| PolarSurfaceArea | 174.56 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 20 |
| AcidicOxygens | 2 |
| StereoCon |
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