N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]adamantane-1-carboxamide
Formula:C19H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C19H22N2O3 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H22N2O3/c22-18(19-7-13-3-14(8-19)5-15(4-13)9-19)21-20-10-12-1-2-16-17(6-12)24-11-23-16/h1-2,6,10,13-15H,3-5,7-9,11H2,(H,21,22) |
| InChIK | OCWCALYMRNKFGI-UHFFFAOYSA-N |
| TotalMolweight | 326.395 |
| Molweight | 326.395 |
| MonoisotopicMass | 326.163043 |
| CLogP | 3.7663 |
| CLogS | -5.417 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.46 |
| Relative PSA | 0.23587 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 5.0897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| StereoCon |
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