(1R,2R)-2-phenyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]cyclopropane-1-carboxamide
Formula:C19H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,2R)-2-phenyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R,2R)-2-phenyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C19H16N4O |
| Smiles | O=C([C@H](C1)[C@@H]1c1ccccc1)N/N=C\c1nc2ccccc2nc1 |
| InChI | InChI=1S/C19H16N4O/c24-19(16-10-15(16)13-6-2-1-3-7-13)23-21-12-14-11-20-17-8-4-5-9-18(17)22-14/h1-9,11-12,15-16H,10H2,(H,23,24)/t15-,16-/m1/s1 |
| InChIK | SVXPGYFMHDJNCH-HZPDHXFCSA-N |
| TotalMolweight | 316.363 |
| Molweight | 316.363 |
| MonoisotopicMass | 316.132411 |
| CLogP | 3.3119 |
| CLogS | -4.13 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.37 |
| Relative PSA | 0.23714 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 5.6169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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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