2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H17N3O5ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H17N3O5ClF3S |
| Smiles | OC(c1c(/C=N\NC(CN(c(cc(C(F)(F)F)cc2)c2Cl)S(c2ccccc2)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C23H17ClF3N3O5S/c24-19-11-10-16(23(25,26)27)12-20(19)30(36(34,35)17-7-2-1-3-8-17)14-21(31)29-28-13-15-6-4-5-9-18(15)22(32)33/h1-13H,14H2,(H,29,31)(H,32,33) |
| InChIK | WKMQIHWBZXTROZ-UHFFFAOYSA-N |
| TotalMolweight | 539.917 |
| Molweight | 539.917 |
| MonoisotopicMass | 539.052953 |
| CLogP | 3.9902 |
| CLogS | -6.453 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 368.37 |
| Relative PSA | 0.25594 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | -11.8 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]benzoic acid
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