2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
Formula:C14H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide is a drug-like molecule.
| MolName | 2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide |
| MolecularFormula | C14H17N3O5 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(NC[C@H]2OCCC2)=O)ccc1)=O |
| InChI | InChI=1S/C14H17N3O5/c18-14(15-9-13-5-2-6-21-13)10-22-16-8-11-3-1-4-12(7-11)17(19)20/h1,3-4,7-8,13H,2,5-6,9-10H2,(H,15,18)/t13-/m0/s1 |
| InChIK | MIKZQZDHGDTRNE-ZDUSSCGKSA-N |
| TotalMolweight | 307.305 |
| Molweight | 307.305 |
| MonoisotopicMass | 307.116822 |
| CLogP | 0.8795 |
| CLogS | -3.231 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 238.7 |
| Relative PSA | 0.36209 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -3.3989 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - 2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide | 2 - 2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
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