1-N,3-N-bis[(Z)-furan-2-ylmethylideneamino]benzene-1,3-dicarboxamide
Formula:C18H14N4O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-N,3-N-bis[(Z)-furan-2-ylmethylideneamino]benzene-1,3-dicarboxamide is a drug-like molecule.
| MolName | 1-N,3-N-bis[(Z)-furan-2-ylmethylideneamino]benzene-1,3-dicarboxamide |
| MolecularFormula | C18H14N4O4 |
| Smiles | O=C(c1cccc(C(N/N=C\c2ccco2)=O)c1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H14N4O4/c23-17(21-19-11-15-6-2-8-25-15)13-4-1-5-14(10-13)18(24)22-20-12-16-7-3-9-26-16/h1-12H,(H,21,23)(H,22,24) |
| InChIK | COYHFAKTWCPNII-UHFFFAOYSA-N |
| TotalMolweight | 350.333 |
| Molweight | 350.333 |
| MonoisotopicMass | 350.101506 |
| CLogP | 3.121 |
| CLogS | -5.19 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.1 |
| Relative PSA | 0.35787 |
| PolarSurfaceArea | 109.2 |
| Druglikeness | 4.1354 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 12 |
| StereoCon |
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