3-nitro-N-[(Z)-[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
Formula:C22H16N6O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-[4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H16N6O6 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c2ccc(/C=N\NC(c3cccc([N+]([O-])=O)c3)=O)cc2)=O)c1)=O |
| InChI | InChI=1S/C22H16N6O6/c29-21(17-3-1-5-19(11-17)27(31)32)25-23-13-15-7-9-16(10-8-15)14-24-26-22(30)18-4-2-6-20(12-18)28(33)34/h1-14H,(H,25,29)(H,26,30) |
| InChIK | CEGPFPOOCPIKHY-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 | 0.64706 |
| 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 | 18 |
| AcidicOxygens | 2 |
| StereoCon |
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