N-[(Z)-furan-2-ylmethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
Formula:C15H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline |
| MolecularFormula | C15H16N4O5S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCCC2)(=O)=O)c1N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C15H16N4O5S/c20-19(21)15-10-13(25(22,23)18-7-1-2-8-18)5-6-14(15)17-16-11-12-4-3-9-24-12/h3-6,9-11,17H,1-2,7-8H2 |
| InChIK | BEYSNWIWCOJQND-UHFFFAOYSA-N |
| TotalMolweight | 364.381 |
| Molweight | 364.381 |
| MonoisotopicMass | 364.084141 |
| CLogP | 2.9728 |
| CLogS | -3.116 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 263.02 |
| Relative PSA | 0.37879 |
| PolarSurfaceArea | 129.11 |
| Druglikeness | -3.8883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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