(2S)-2-(2-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide
Formula:C16H14N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-2-(2-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | (2S)-2-(2-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C16H14N4O6 |
| Smiles | C[C@@H](C(N/N=C\c(cc1)ccc1[N+]([O-])=O)=O)Oc(cccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C16H14N4O6/c1-11(26-15-5-3-2-4-14(15)20(24)25)16(21)18-17-10-12-6-8-13(9-7-12)19(22)23/h2-11H,1H3,(H,18,21)/t11-/m0/s1 |
| InChIK | GDVDDOKTAMPKPA-NSHDSACASA-N |
| TotalMolweight | 358.309 |
| Molweight | 358.309 |
| MonoisotopicMass | 358.091336 |
| CLogP | 1.2926 |
| CLogS | -4.799 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 269.09 |
| Relative PSA | 0.39708 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -0.041007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon | this enantiomer |
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1 - (2S)-2-(2-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide | 2 - (2S)-2-(2-nitrophenoxy)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide
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