[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] morpholine-4-carboxylate
Formula:C13H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C13H16N4O5 |
| Smiles | N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C13H16N4O5/c14-12(9-10-1-3-11(4-2-10)17(19)20)15-22-13(18)16-5-7-21-8-6-16/h1-4H,5-9H2,(H2,14,15) |
| InChIK | ZWFURKDEOSZDCM-UHFFFAOYSA-N |
| TotalMolweight | 308.293 |
| Molweight | 308.293 |
| MonoisotopicMass | 308.112071 |
| CLogP | 0.6693 |
| CLogS | -2.675 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 231.77 |
| Relative PSA | 0.40467 |
| PolarSurfaceArea | 122.97 |
| Druglikeness | -8.107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] morpholine-4-carboxylate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] morpholine-4-carboxylate
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