N-(furan-2-ylmethyl)-3-nitro-4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C17H15N5O5S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-3-nitro-4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-3-nitro-4-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C17H15N5O5S |
| Smiles | [O-][N+](c(cc(cc1)S(NCc2ccco2)(=O)=O)c1N/N=C\c1ncccc1)=O |
| InChI | InChI=1S/C17H15N5O5S/c23-22(24)17-10-15(28(25,26)20-12-14-5-3-9-27-14)6-7-16(17)21-19-11-13-4-1-2-8-18-13/h1-11,20-21H,12H2 |
| InChIK | BQMOAICCXBJMCA-UHFFFAOYSA-N |
| TotalMolweight | 401.402 |
| Molweight | 401.402 |
| MonoisotopicMass | 401.07939 |
| CLogP | 2.7046 |
| CLogS | -3.396 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 294.92 |
| Relative PSA | 0.40184 |
| PolarSurfaceArea | 150.79 |
| Druglikeness | -3.966 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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