4-[(Z)-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoate
Formula:C21H15N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C21H15N3O5ClS |
| Smiles | [O-]C(c1ccc(/C=N\NC(c2cccc(S(Nc3cccc(Cl)c3)(=O)=O)c2)=O)cc1)=O |
| InChI | InChI=1S/C21H16ClN3O5S/c22-17-4-2-5-18(12-17)25-31(29,30)19-6-1-3-16(11-19)20(26)24-23-13-14-7-9-15(10-8-14)21(27)28/h1-13,25H,(H,24,26)(H,27,28)/p-1 |
| InChIK | KEDWAILBLHSLOR-UHFFFAOYSA-M |
| TotalMolweight | 456.885 |
| Molweight | 456.885 |
| MonoisotopicMass | 456.042094 |
| CLogP | 1.5158 |
| CLogS | -5.803 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 327.49 |
| Relative PSA | 0.31564 |
| PolarSurfaceArea | 136.14 |
| Druglikeness | -0.70981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off