N-[(Z)-[4-(1-adamantyl)phenyl]methylideneamino]aniline
Formula:C23H26N2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(1-adamantyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[4-(1-adamantyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C23H26N2 |
| Smiles | C(C(CC(C1)C2)C3)C1CC23c1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C23H26N2/c1-2-4-22(5-3-1)25-24-16-17-6-8-21(9-7-17)23-13-18-10-19(14-23)12-20(11-18)15-23/h1-9,16,18-20,25H,10-15H2 |
| InChIK | LCDHYHOAMBPKMN-UHFFFAOYSA-N |
| TotalMolweight | 330.473 |
| Molweight | 330.473 |
| MonoisotopicMass | 330.209598 |
| CLogP | 6.9712 |
| CLogS | -5.857 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 259.21 |
| Relative PSA | 0.088615 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.4855 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| StereoCon |
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