2-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H18N3O5Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H18N3O5Cl3S |
| Smiles | OC(c1c(/C=N\NC(CN(Cc(c(Cl)ccc2)c2Cl)S(c(cc2)ccc2Cl)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C23H18Cl3N3O5S/c24-16-8-10-17(11-9-16)35(33,34)29(13-19-20(25)6-3-7-21(19)26)14-22(30)28-27-12-15-4-1-2-5-18(15)23(31)32/h1-12H,13-14H2,(H,28,30)(H,31,32) |
| InChIK | KHAOUJITYXCXCG-UHFFFAOYSA-N |
| TotalMolweight | 554.837 |
| Molweight | 554.837 |
| MonoisotopicMass | 553.003273 |
| CLogP | 4.7863 |
| CLogS | -6.166 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 383.51 |
| Relative PSA | 0.24583 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | 4.9137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off