N-[(Z)-[3-[(Z)-[(3,5-dinitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dinitrobenzamide
Formula:C22H14N8O10
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(Z)-[(3,5-dinitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dinitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(Z)-[(3,5-dinitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C22H14N8O10 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2cccc(/C=N\NC(c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)=O)c2)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C22H14N8O10/c31-21(15-5-17(27(33)34)9-18(6-15)28(35)36)25-23-11-13-2-1-3-14(4-13)12-24-26-22(32)16-7-19(29(37)38)10-20(8-16)30(39)40/h1-12H,(H,25,31)(H,26,32) |
| InChIK | SHBJMXJIXUQNGO-UHFFFAOYSA-N |
| TotalMolweight | 550.399 |
| Molweight | 550.399 |
| MonoisotopicMass | 550.083292 |
| CLogP | 1.0572 |
| CLogS | -7.666 |
| H Acceptors | 18 |
| H Donors | 2 |
| TotalSurfaceArea | 395.4 |
| Relative PSA | 0.48988 |
| PolarSurfaceArea | 266.2 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 18 |
| Electronegative Atoms | 18 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 24 |
| AcidicOxygens | 4 |
| StereoCon |
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1 - N-[(Z)-[3-[(Z)-[(3,5-dinitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dinitrobenzamide | 2 - N-[(Z)-[3-[(Z)-[(3,5-dinitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,5-dinitrobenzamide
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