3-nitro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
Formula:C19H11N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-nitro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C19H11N3O4 |
| Smiles | [O-][N+](c1cc(C(N/N=C(/c2cccc3cccc4c23)\C4=O)=O)ccc1)=O |
| InChI | InChI=1S/C19H11N3O4/c23-18-15-9-3-5-11-4-2-8-14(16(11)15)17(18)20-21-19(24)12-6-1-7-13(10-12)22(25)26/h1-10H,(H,21,24) |
| InChIK | NXXJLALWRHXJDH-UHFFFAOYSA-N |
| TotalMolweight | 345.313 |
| Molweight | 345.313 |
| MonoisotopicMass | 345.074957 |
| CLogP | 2.9123 |
| CLogS | -6.377 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 247.72 |
| Relative PSA | 0.32081 |
| PolarSurfaceArea | 104.35 |
| Druglikeness | -0.95683 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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