N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
Formula:C15H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide |
| MolecularFormula | C15H13N3O5 |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H13N3O5/c19-14(8-16-15(20)12-2-1-5-21-12)18-17-7-10-3-4-11-13(6-10)23-9-22-11/h1-7H,8-9H2,(H,16,20)(H,18,19) |
| InChIK | KWIAPFLOQIZIOD-UHFFFAOYSA-N |
| TotalMolweight | 315.284 |
| Molweight | 315.284 |
| MonoisotopicMass | 315.085522 |
| CLogP | 1.5854 |
| CLogS | -3.881 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 239.91 |
| Relative PSA | 0.3944 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | 5.4293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide | 2 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
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