4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
Formula:C23H22N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-phenylphenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-phenylphenyl)methylideneamino]aniline |
| MolecularFormula | C23H22N4O5S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C23H22N4O5S/c28-27(29)23-16-21(33(30,31)26-12-14-32-15-13-26)10-11-22(23)25-24-17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-11,16-17,25H,12-15H2 |
| InChIK | XYSZSSVYAFYBPU-UHFFFAOYSA-N |
| TotalMolweight | 466.517 |
| Molweight | 466.517 |
| MonoisotopicMass | 466.131091 |
| CLogP | 4.6213 |
| CLogS | -4.901 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 343.09 |
| Relative PSA | 0.27841 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -4.4941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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