[3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C27H20N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C27H20N3O5ClS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1 |
| InChI | InChI=1S/C27H20ClN3O5S/c28-22-13-9-21(10-14-22)27(33)36-24-6-4-5-19(17-24)18-29-30-26(32)20-11-15-23(16-12-20)31-37(34,35)25-7-2-1-3-8-25/h1-18,31H,(H,30,32) |
| InChIK | NMONAYNYRXMTIG-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 | 0.82476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64865 |
| 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 | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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