4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
Formula:C20H19N5O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline |
| MolecularFormula | C20H19N5O5S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c1cc2cccnc2cc1)=O |
| InChI | InChI=1S/C20H19N5O5S/c26-25(27)20-13-17(31(28,29)24-8-10-30-11-9-24)4-6-19(20)23-22-14-15-3-5-18-16(12-15)2-1-7-21-18/h1-7,12-14,23H,8-11H2 |
| InChIK | AFUQZQCQCIQHEW-UHFFFAOYSA-N |
| TotalMolweight | 441.467 |
| Molweight | 441.467 |
| MonoisotopicMass | 441.11069 |
| CLogP | 3.2781 |
| CLogS | -3.521 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 316.69 |
| Relative PSA | 0.33626 |
| PolarSurfaceArea | 138.09 |
| Druglikeness | -4.3627 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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