N-[(Z)-anthracen-9-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
Formula:C30H21N5O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-anthracen-9-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide |
| MolecularFormula | C30H21N5O |
| Smiles | O=C(c(nc1-c2ccccc2)nn1-c1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C30H21N5O/c36-30(28-32-29(21-11-3-1-4-12-21)35(34-28)24-15-5-2-6-16-24)33-31-20-27-25-17-9-7-13-22(25)19-23-14-8-10-18-26(23)27/h1-20H,(H,33,36) |
| InChIK | VDDFHQWRKUQDBJ-UHFFFAOYSA-N |
| TotalMolweight | 467.531 |
| Molweight | 467.531 |
| MonoisotopicMass | 467.17461 |
| CLogP | 6.168 |
| CLogS | -8.474 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 362.43 |
| Relative PSA | 0.17885 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.5794 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 31 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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