(3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one
Formula:C9H9NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one is a drug-like molecule.
| MolName | (3E)-3-(1H-pyrrol-2-ylmethylidene)oxolan-2-one |
| MolecularFormula | C9H9NO2 |
| Smiles | O=C1OCC/C1=C\c1ccc[nH]1 |
| InChI | InChI=1S/C9H9NO2/c11-9-7(3-5-12-9)6-8-2-1-4-10-8/h1-2,4,6,10H,3,5H2 |
| InChIK | KNNZLUMLSTXQEQ-UHFFFAOYSA-N |
| TotalMolweight | 163.175 |
| Molweight | 163.175 |
| MonoisotopicMass | 163.063329 |
| CLogP | 0.5035 |
| CLogS | -1.415 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 129.31 |
| Relative PSA | 0.28637 |
| PolarSurfaceArea | 42.09 |
| Druglikeness | 1.53 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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