N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide
Formula:C19H17N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide is a drug-like molecule.
| MolName | N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide |
| MolecularFormula | C19H17N3O3 |
| Smiles | O=C(CCC(N/N=C\c1ccco1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H17N3O3/c23-18(10-11-19(24)22-20-13-15-7-4-12-25-15)21-17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12-13H,10-11H2,(H,21,23)(H,22,24) |
| InChIK | DCPJEKMXSQIGDR-UHFFFAOYSA-N |
| TotalMolweight | 335.362 |
| Molweight | 335.362 |
| MonoisotopicMass | 335.126992 |
| CLogP | 3.4358 |
| CLogS | -5.353 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.01 |
| Relative PSA | 0.27842 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.5889 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide | 2 - N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-ylbutanediamide
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