[4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
Formula:C20H15N2O4FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzenesulfonate |
| MolecularFormula | C20H15N2O4FS |
| Smiles | O=C(c1cc(F)ccc1)N/N=C\c(cc1)ccc1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C20H15FN2O4S/c21-17-6-4-5-16(13-17)20(24)23-22-14-15-9-11-18(12-10-15)27-28(25,26)19-7-2-1-3-8-19/h1-14H,(H,23,24) |
| InChIK | BUNQIMYCHQFRBH-UHFFFAOYSA-N |
| TotalMolweight | 398.413 |
| Molweight | 398.413 |
| MonoisotopicMass | 398.073656 |
| CLogP | 4.1813 |
| CLogS | -4.809 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.68 |
| Relative PSA | 0.25573 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -4.7718 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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