N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Formula:C19H14N6O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C19H14N6O3 |
| Smiles | [O-][N+](c1nn(CC(N/N=C\c2c(cccc3)c3cc3ccccc23)=O)cn1)=O |
| InChI | InChI=1S/C19H14N6O3/c26-18(11-24-12-20-19(23-24)25(27)28)22-21-10-17-15-7-3-1-5-13(15)9-14-6-2-4-8-16(14)17/h1-10,12H,11H2,(H,22,26) |
| InChIK | ZYRLRCJTGXCZCK-UHFFFAOYSA-N |
| TotalMolweight | 374.359 |
| Molweight | 374.359 |
| MonoisotopicMass | 374.112739 |
| CLogP | 2.4715 |
| CLogS | -6.275 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 280.34 |
| Relative PSA | 0.33973 |
| PolarSurfaceArea | 117.99 |
| Druglikeness | 1.3516 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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