| MolName | 2-[[(Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]acetate |
| MolecularFormula | C14H11N2O6 |
| Smiles | [O-]C(CNC(/C(/NC(c1ccco1)=O)=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C14H12N2O6/c17-12(18)8-15-13(19)10(7-9-3-1-5-21-9)16-14(20)11-4-2-6-22-11/h1-7H,8H2,(H,15,19)(H,16,20)(H,17,18)/p-1 |
| InChIK | AYTAMHBTFHWZJF-UHFFFAOYSA-M |
| TotalMolweight | 303.249 |
| Molweight | 303.249 |
| MonoisotopicMass | 303.061713 |
| CLogP | -1.8535 |
| CLogS | -2.505 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 234.57 |
| Relative PSA | 0.44567 |
| PolarSurfaceArea | 124.61 |
| Druglikeness | 1.268 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]acetate | 2 - 2-[[(Z)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]acetate