[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
Formula:C20H15N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C20H15N2O4ClS |
| Smiles | O=C(c1ccccc1)Oc1ccc(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1 |
| InChI | InChI=1S/C20H15ClN2O4S/c21-17-8-12-19(13-9-17)28(25,26)23-22-14-15-6-10-18(11-7-15)27-20(24)16-4-2-1-3-5-16/h1-14,23H |
| InChIK | AEFRLGXPZUFZQX-UHFFFAOYSA-N |
| TotalMolweight | 414.868 |
| Molweight | 414.868 |
| MonoisotopicMass | 414.044105 |
| CLogP | 4.3136 |
| CLogS | -4.122 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.75 |
| Relative PSA | 0.24801 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 4.3599 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
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