2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
Formula:C15H16N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline |
| MolecularFormula | C15H16N4O5S2 |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C\c1cccs1)=O |
| InChI | InChI=1S/C15H16N4O5S2/c20-19(21)12-3-4-14(17-16-11-13-2-1-9-25-13)15(10-12)26(22,23)18-5-7-24-8-6-18/h1-4,9-11,17H,5-8H2 |
| InChIK | MUKADXIAAHGFLJ-UHFFFAOYSA-N |
| TotalMolweight | 396.447 |
| Molweight | 396.447 |
| MonoisotopicMass | 396.056211 |
| CLogP | 2.8287 |
| CLogS | -2.825 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 279.27 |
| Relative PSA | 0.41494 |
| PolarSurfaceArea | 153.44 |
| Druglikeness | -1.8144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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