[(E)-[amino-(4-nitrophenyl)methylidene]amino] morpholine-4-carboxylate
Formula:C12H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-nitrophenyl)methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-nitrophenyl)methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C12H14N4O5 |
| Smiles | N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C12H14N4O5/c13-11(9-1-3-10(4-2-9)16(18)19)14-21-12(17)15-5-7-20-8-6-15/h1-4H,5-8H2,(H2,13,14) |
| InChIK | LAFVWHBWHNSIBC-UHFFFAOYSA-N |
| TotalMolweight | 294.266 |
| Molweight | 294.266 |
| MonoisotopicMass | 294.096421 |
| CLogP | 0.6712 |
| CLogS | -2.71 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 218.01 |
| Relative PSA | 0.43021 |
| PolarSurfaceArea | 122.97 |
| Druglikeness | -8.0354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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