N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline
Formula:C22H26N6O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline |
| MolecularFormula | C22H26N6O7S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\Nc(ccc([N+]([O-])=O)c2)c2S(N2CCCCC2)(=O)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C22H26N6O7S/c29-27(30)18-5-7-21(25-10-12-35-13-11-25)17(14-18)16-23-24-20-6-4-19(28(31)32)15-22(20)36(33,34)26-8-2-1-3-9-26/h4-7,14-16,24H,1-3,8-13H2 |
| InChIK | FNFFIMNGQJUVTI-UHFFFAOYSA-N |
| TotalMolweight | 518.549 |
| Molweight | 518.549 |
| MonoisotopicMass | 518.158369 |
| CLogP | 2.8735 |
| CLogS | -4.267 |
| H Acceptors | 13 |
| H Donors | 1 |
| TotalSurfaceArea | 372.6 |
| Relative PSA | 0.34753 |
| PolarSurfaceArea | 174.26 |
| Druglikeness | -4.7859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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