4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C24H20N6O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C24H20N6O6S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)(=O)=O |
| InChI | InChI=1S/C24H20N6O6S/c25-37(33,34)19-7-8-20(21(13-19)30(31)32)27-26-14-17-15-29(18-4-2-1-3-5-18)28-24(17)16-6-9-22-23(12-16)36-11-10-35-22/h1-9,12-15,27H,10-11H2,(H2,25,33,34) |
| InChIK | VYLSMJQSGFYDFG-UHFFFAOYSA-N |
| TotalMolweight | 520.525 |
| Molweight | 520.525 |
| MonoisotopicMass | 520.116504 |
| CLogP | 3.5811 |
| CLogS | -5.203 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 371.51 |
| Relative PSA | 0.3636 |
| PolarSurfaceArea | 175.03 |
| Druglikeness | -9.2246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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