[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C12H13NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclopropylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C12H13NO4 |
| Smiles | O=C(COC(/C=C/c1ccco1)=O)NC1CC1 |
| InChI | InChI=1S/C12H13NO4/c14-11(13-9-3-4-9)8-17-12(15)6-5-10-2-1-7-16-10/h1-2,5-7,9H,3-4,8H2,(H,13,14) |
| InChIK | ZEYAPRKOVGKYOK-UHFFFAOYSA-N |
| TotalMolweight | 235.238 |
| Molweight | 235.238 |
| MonoisotopicMass | 235.084459 |
| CLogP | 0.7039 |
| CLogS | -2.34 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 186.69 |
| Relative PSA | 0.33023 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | 1.3453 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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