N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C13H10N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C13H10N2O4 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H10N2O4/c16-13(15-14-7-10-2-1-5-17-10)9-3-4-11-12(6-9)19-8-18-11/h1-7H,8H2,(H,15,16) |
| InChIK | KKGILAUDCXKOLA-UHFFFAOYSA-N |
| TotalMolweight | 258.232 |
| Molweight | 258.232 |
| MonoisotopicMass | 258.064058 |
| CLogP | 2.5017 |
| CLogS | -4.114 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 196.94 |
| Relative PSA | 0.35605 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 4.1077 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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