(E)-N-cycloheptyl-3-quinoxalin-2-ylprop-2-enamide
Formula:C18H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cycloheptyl-3-quinoxalin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cycloheptyl-3-quinoxalin-2-ylprop-2-enamide |
| MolecularFormula | C18H21N3O |
| Smiles | O=C(/C=C/c1nc2ccccc2nc1)NC1CCCCCC1 |
| InChI | InChI=1S/C18H21N3O/c22-18(21-14-7-3-1-2-4-8-14)12-11-15-13-19-16-9-5-6-10-17(16)20-15/h5-6,9-14H,1-4,7-8H2,(H,21,22) |
| InChIK | QYPYBORVOYFBNI-UHFFFAOYSA-N |
| TotalMolweight | 295.385 |
| Molweight | 295.385 |
| MonoisotopicMass | 295.168462 |
| CLogP | 2.8169 |
| CLogS | -3.665 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.65 |
| Relative PSA | 0.19139 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -4.1761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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