2-[(Z)-[[3-[(2,5-dichlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoic acid
Formula:C21H15N3O5Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-[[3-[(2,5-dichlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[3-[(2,5-dichlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C21H15N3O5Cl2S |
| Smiles | OC(c1c(/C=N\NC(c2cccc(S(Nc(cc(cc3)Cl)c3Cl)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C21H15Cl2N3O5S/c22-15-8-9-18(23)19(11-15)26-32(30,31)16-6-3-5-13(10-16)20(27)25-24-12-14-4-1-2-7-17(14)21(28)29/h1-12,26H,(H,25,27)(H,28,29) |
| InChIK | JSKHLLZMCAKCON-UHFFFAOYSA-N |
| TotalMolweight | 492.338 |
| Molweight | 492.338 |
| MonoisotopicMass | 491.010946 |
| CLogP | 4.1978 |
| CLogS | -6.539 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 341.73 |
| Relative PSA | 0.29904 |
| PolarSurfaceArea | 133.31 |
| Druglikeness | -1.398 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[3-[(2,5-dichlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[3-[(2,5-dichlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]benzoic acid
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