(E)-2-cyano-N-cyclopentyl-3-(furan-2-yl)prop-2-enamide
Formula:C13H14N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopentyl-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopentyl-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C13H14N2O2 |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c1ccco1 |
| InChI | InChI=1S/C13H14N2O2/c14-9-10(8-12-6-3-7-17-12)13(16)15-11-4-1-2-5-11/h3,6-8,11H,1-2,4-5H2,(H,15,16) |
| InChIK | YKMQJFMQEMZQIX-UHFFFAOYSA-N |
| TotalMolweight | 230.266 |
| Molweight | 230.266 |
| MonoisotopicMass | 230.105528 |
| CLogP | 1.682 |
| CLogS | -3.249 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.62 |
| Relative PSA | 0.27084 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -3.7394 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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