N-[(Z)-anthracen-9-ylmethylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C27H21N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(naphthalen-1-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C27H21N3O |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C27H21N3O/c31-27(18-28-26-15-7-11-19-8-1-6-14-24(19)26)30-29-17-25-22-12-4-2-9-20(22)16-21-10-3-5-13-23(21)25/h1-17,28H,18H2,(H,30,31) |
| InChIK | XMIVBKFWYXCZJV-UHFFFAOYSA-N |
| TotalMolweight | 403.484 |
| Molweight | 403.484 |
| MonoisotopicMass | 403.168462 |
| CLogP | 6.0767 |
| CLogS | -8.361 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 316.01 |
| Relative PSA | 0.15022 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.0301 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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