N-[(Z)-anthracen-9-ylmethylideneamino]adamantane-1-carboxamide
Formula:C26H26N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]adamantane-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C26H26N2O |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H26N2O/c29-25(26-13-17-9-18(14-26)11-19(10-17)15-26)28-27-16-24-22-7-3-1-5-20(22)12-21-6-2-4-8-23(21)24/h1-8,12,16-19H,9-11,13-15H2,(H,28,29) |
| InChIK | AIYVILPYSBCNHW-UHFFFAOYSA-N |
| TotalMolweight | 382.505 |
| Molweight | 382.505 |
| MonoisotopicMass | 382.204513 |
| CLogP | 6.0437 |
| CLogS | -7.918 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.4 |
| Relative PSA | 0.12573 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.2464 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| StereoCon |
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