3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C19H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C19H19N3O2 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H19N3O2/c23-17-19(11-4-1-5-12-19)21-18(24)22(17)20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,24) |
| InChIK | MEJDQNISICRSTA-UHFFFAOYSA-N |
| TotalMolweight | 321.379 |
| Molweight | 321.379 |
| MonoisotopicMass | 321.147727 |
| CLogP | 3.3452 |
| CLogS | -5.342 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.09 |
| Relative PSA | 0.21727 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 1.5523 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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