2-amino-N-[(Z)-anthracen-9-ylmethylideneamino]benzamide
Formula:C22H17N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(Z)-anthracen-9-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-anthracen-9-ylmethylideneamino]benzamide |
| MolecularFormula | C22H17N3O |
| Smiles | Nc(cccc1)c1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C22H17N3O/c23-21-12-6-5-11-19(21)22(26)25-24-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,23H2,(H,25,26) |
| InChIK | XNHYUXWWXRLJHC-UHFFFAOYSA-N |
| TotalMolweight | 339.397 |
| Molweight | 339.397 |
| MonoisotopicMass | 339.137162 |
| CLogP | 4.9131 |
| CLogS | -7.009 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.71 |
| Relative PSA | 0.19372 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 4.3905 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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