2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
Formula:C16H17N5O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline |
| MolecularFormula | C16H17N5O5S |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C16H17N5O5S/c22-21(23)14-1-2-15(19-18-12-13-3-5-17-6-4-13)16(11-14)27(24,25)20-7-9-26-10-8-20/h1-6,11-12,19H,7-10H2 |
| InChIK | BJWXHPLLMLAGCY-UHFFFAOYSA-N |
| TotalMolweight | 391.407 |
| Molweight | 391.407 |
| MonoisotopicMass | 391.09504 |
| CLogP | 1.9612 |
| CLogS | -2.02 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 282.09 |
| Relative PSA | 0.3775 |
| PolarSurfaceArea | 138.09 |
| Druglikeness | -3.5305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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