[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C27H20N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C27H20N3O5ClS |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C27H20ClN3O5S/c28-22-10-16-25(17-11-22)37(34,35)31-23-12-8-20(9-13-23)26(32)30-29-18-19-6-14-24(15-7-19)36-27(33)21-4-2-1-3-5-21/h1-18,31H,(H,30,32) |
| InChIK | HIDWRHZTRSUDBJ-UHFFFAOYSA-N |
| TotalMolweight | 533.991 |
| Molweight | 533.991 |
| MonoisotopicMass | 533.081219 |
| CLogP | 5.5372 |
| CLogS | -7.26 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 389.72 |
| Relative PSA | 0.25426 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 7.6121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67568 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
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