2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]aniline
Formula:C17H17N5O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]aniline |
| MolecularFormula | C17H17N5O7S |
| Smiles | [O-][N+](c1ccc(/C=N/Nc(ccc([N+]([O-])=O)c2)c2S(N2CCOCC2)(=O)=O)cc1)=O |
| InChI | InChI=1S/C17H17N5O7S/c23-21(24)14-3-1-13(2-4-14)12-18-19-16-6-5-15(22(25)26)11-17(16)30(27,28)20-7-9-29-10-8-20/h1-6,11-12,19H,7-10H2 |
| InChIK | SPZMLFBVXSBUTG-UHFFFAOYSA-N |
| TotalMolweight | 435.416 |
| Molweight | 435.416 |
| MonoisotopicMass | 435.08487 |
| CLogP | 2.0405 |
| CLogS | -3.275 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 307 |
| Relative PSA | 0.41023 |
| PolarSurfaceArea | 171.02 |
| Druglikeness | -8.5008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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