2-nitro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline
Formula:C17H17N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline is not a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylaniline |
| MolecularFormula | C17H17N5O6S |
| Smiles | [O-][N+](c1c(/C=N\Nc(ccc(S(N2CCCC2)(=O)=O)c2)c2[N+]([O-])=O)cccc1)=O |
| InChI | InChI=1S/C17H17N5O6S/c23-21(24)16-6-2-1-5-13(16)12-18-19-15-8-7-14(11-17(15)22(25)26)29(27,28)20-9-3-4-10-20/h1-2,5-8,11-12,19H,3-4,9-10H2 |
| InChIK | BLOLMMWNXVNOEG-UHFFFAOYSA-N |
| TotalMolweight | 419.417 |
| Molweight | 419.417 |
| MonoisotopicMass | 419.089955 |
| CLogP | 2.8625 |
| CLogS | -3.894 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 297 |
| Relative PSA | 0.39037 |
| PolarSurfaceArea | 161.79 |
| Druglikeness | -6.06 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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