N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
Formula:C14H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide |
| MolecularFormula | C14H16N3O3Cl |
| Smiles | O=C(C(N/N=C\c1cccc(Cl)c1)=O)NC[C@@H]1OCCC1 |
| InChI | InChI=1S/C14H16ClN3O3/c15-11-4-1-3-10(7-11)8-17-18-14(20)13(19)16-9-12-5-2-6-21-12/h1,3-4,7-8,12H,2,5-6,9H2,(H,16,19)(H,18,20)/t12-/m1/s1 |
| InChIK | NNZRASQSXAWOFR-GFCCVEGCSA-N |
| TotalMolweight | 309.752 |
| Molweight | 309.752 |
| MonoisotopicMass | 309.088019 |
| CLogP | 1.341 |
| CLogS | -3.439 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.9 |
| Relative PSA | 0.2989 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.5255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide | 2 - N'-[(Z)-(3-chlorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
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