[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] cyclopropanecarboxylate
Formula:C12H13NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C12H13NO3 |
| Smiles | O=C(C1CC1)O/N=C(/CCC1)\c2c1occ2 |
| InChI | InChI=1S/C12H13NO3/c14-12(8-4-5-8)16-13-10-2-1-3-11-9(10)6-7-15-11/h6-8H,1-5H2 |
| InChIK | QGKAIRNBQRQXOS-UHFFFAOYSA-N |
| TotalMolweight | 219.239 |
| Molweight | 219.239 |
| MonoisotopicMass | 219.089544 |
| CLogP | 2.6538 |
| CLogS | -3.748 |
| H Acceptors | 4 |
| TotalSurfaceArea | 167.97 |
| Relative PSA | 0.28969 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -3.9083 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| StereoCon |
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