N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]naphthalene-1-carboxamide
Formula:C21H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C21H18N2O |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c1cc(CCC2)c2cc1 |
| InChI | InChI=1S/C21H18N2O/c24-21(20-10-4-7-17-5-1-2-9-19(17)20)23-22-14-15-11-12-16-6-3-8-18(16)13-15/h1-2,4-5,7,9-14H,3,6,8H2,(H,23,24) |
| InChIK | BFXCYGHNHLRKCN-UHFFFAOYSA-N |
| TotalMolweight | 314.387 |
| Molweight | 314.387 |
| MonoisotopicMass | 314.141913 |
| CLogP | 5.2108 |
| CLogS | -6.149 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.37 |
| Relative PSA | 0.1444 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.3923 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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