(E)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
Formula:C11H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide |
| MolecularFormula | C11H11N3O |
| Smiles | N#C/C(/C(NC1CC1)=O)=C\c1ccc[nH]1 |
| InChI | InChI=1S/C11H11N3O/c12-7-8(6-10-2-1-5-13-10)11(15)14-9-3-4-9/h1-2,5-6,9,13H,3-4H2,(H,14,15) |
| InChIK | RKJYHNSWLQQSKJ-UHFFFAOYSA-N |
| TotalMolweight | 201.228 |
| Molweight | 201.228 |
| MonoisotopicMass | 201.090212 |
| CLogP | 0.5858 |
| CLogS | -2.075 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 164.98 |
| Relative PSA | 0.31549 |
| PolarSurfaceArea | 68.68 |
| Druglikeness | -0.51261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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