4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-1-phenylethylideneamino]aniline
Formula:C18H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-1-phenylethylideneamino]aniline is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-1-phenylethylideneamino]aniline |
| MolecularFormula | C18H20N4O5S |
| Smiles | C/C(/c1ccccc1)=N/Nc(ccc(S(N1CCOCC1)(=O)=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C18H20N4O5S/c1-14(15-5-3-2-4-6-15)19-20-17-8-7-16(13-18(17)22(23)24)28(25,26)21-9-11-27-12-10-21/h2-8,13,20H,9-12H2,1H3 |
| InChIK | LQVSIXJOAUSDEO-UHFFFAOYSA-N |
| TotalMolweight | 404.446 |
| Molweight | 404.446 |
| MonoisotopicMass | 404.115441 |
| CLogP | 2.9 |
| CLogS | -3.175 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 293.8 |
| Relative PSA | 0.32512 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -4.8464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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