(1R,2R)-2-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]cyclopropane-1-carboxamide
Formula:C19H16N4O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1R,2R)-2-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R,2R)-2-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C19H16N4O |
| Smiles | O=C([C@H](C1)[C@@H]1c1ccccc1)N/N=C\c1cccc2nccnc12 |
| InChI | InChI=1S/C19H16N4O/c24-19(16-11-15(16)13-5-2-1-3-6-13)23-22-12-14-7-4-8-17-18(14)21-10-9-20-17/h1-10,12,15-16H,11H2,(H,23,24)/t15-,16-/m1/s1 |
| InChIK | LEDFRWHVFSROBI-HZPDHXFCSA-N |
| TotalMolweight | 316.363 |
| Molweight | 316.363 |
| MonoisotopicMass | 316.132411 |
| CLogP | 3.2579 |
| CLogS | -4.106 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.37 |
| Relative PSA | 0.23714 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 5.6169 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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