3-[(3-nitrobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
Formula:C21H15N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(3-nitrobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-[(3-nitrobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N5O6 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cccc(NC(c3cccc([N+]([O-])=O)c3)=O)c2)=O)c1)=O |
| InChI | InChI=1S/C21H15N5O6/c27-20(16-6-3-9-19(12-16)26(31)32)23-17-7-2-5-15(11-17)21(28)24-22-13-14-4-1-8-18(10-14)25(29)30/h1-13H,(H,23,27)(H,24,28) |
| InChIK | XYPRRGOGPZTHOR-UHFFFAOYSA-N |
| TotalMolweight | 433.379 |
| Molweight | 433.379 |
| MonoisotopicMass | 433.102235 |
| CLogP | 2.5059 |
| CLogS | -6.153 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 323.3 |
| Relative PSA | 0.37535 |
| PolarSurfaceArea | 162.2 |
| Druglikeness | -0.28612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 3-[(3-nitrobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide | 2 - 3-[(3-nitrobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
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