4-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]-2-nitroaniline
Formula:C21H20N4O5S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]-2-nitroaniline is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]-2-nitroaniline |
| MolecularFormula | C21H20N4O5S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c1cccc2ccccc12)=O |
| InChI | InChI=1S/C21H20N4O5S/c26-25(27)21-14-18(31(28,29)24-10-12-30-13-11-24)8-9-20(21)23-22-15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14-15,23H,10-13H2 |
| InChIK | JZUYJRWNODTZBS-UHFFFAOYSA-N |
| TotalMolweight | 440.479 |
| Molweight | 440.479 |
| MonoisotopicMass | 440.115441 |
| CLogP | 4.1565 |
| CLogS | -4.421 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 317.93 |
| Relative PSA | 0.30044 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -4.7577 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]-2-nitroaniline | 2 - 4-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]-2-nitroaniline
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