N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C16H16N4O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C16H16N4O6S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cccc(S(N3CCCC3)(=O)=O)c2)=O)o1)=O |
| InChI | InChI=1S/C16H16N4O6S/c21-16(18-17-11-13-6-7-15(26-13)20(22)23)12-4-3-5-14(10-12)27(24,25)19-8-1-2-9-19/h3-7,10-11H,1-2,8-9H2,(H,18,21) |
| InChIK | LAUGDISESVMDAV-UHFFFAOYSA-N |
| TotalMolweight | 392.391 |
| Molweight | 392.391 |
| MonoisotopicMass | 392.079056 |
| CLogP | 1.6849 |
| CLogS | -4.213 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 280.77 |
| Relative PSA | 0.40129 |
| PolarSurfaceArea | 146.18 |
| Druglikeness | -0.80327 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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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