| MolName | (E)-2-cyano-N-cyclopentyl-3-(2-hydroxyphenyl)prop-2-enamide |
| MolecularFormula | C15H16N2O2 |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c(cccc1)c1O |
| InChI | InChI=1S/C15H16N2O2/c16-10-12(9-11-5-1-4-8-14(11)18)15(19)17-13-6-2-3-7-13/h1,4-5,8-9,13,18H,2-3,6-7H2,(H,17,19) |
| InChIK | GADXBTCOTAAUSI-UHFFFAOYSA-N |
| TotalMolweight | 256.304 |
| Molweight | 256.304 |
| MonoisotopicMass | 256.121178 |
| CLogP | 2.1476 |
| CLogS | -3.271 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 209.28 |
| Relative PSA | 0.24446 |
| PolarSurfaceArea | 73.12 |
| Druglikeness | -3.5063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-cyclopentyl-3-(2-hydroxyphenyl)prop-2-enamide | 2 - (E)-2-cyano-N-cyclopentyl-3-(2-hydroxyphenyl)prop-2-enamide