N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C18H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C18H15N3O3 |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C18H15N3O3/c22-17(12-19-18(23)16-6-3-9-24-16)21-20-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-11H,12H2,(H,19,23)(H,21,22) |
| InChIK | JCOWFPIIBMDXGO-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 2.6684 |
| CLogS | -4.776 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.25 |
| Relative PSA | 0.29349 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 5.445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide | 2 - N-[2-[(2Z)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
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