[3-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C20H14N2O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [3-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C20H14N2O4Cl2S |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1cccc(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)c1 |
| InChI | InChI=1S/C20H14Cl2N2O4S/c21-16-6-4-15(5-7-16)20(25)28-18-3-1-2-14(12-18)13-23-24-29(26,27)19-10-8-17(22)9-11-19/h1-13,24H |
| InChIK | HOSCNDPHWVKLOZ-UHFFFAOYSA-N |
| TotalMolweight | 449.313 |
| Molweight | 449.313 |
| MonoisotopicMass | 448.005132 |
| CLogP | 4.9196 |
| CLogS | -4.858 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 316.17 |
| Relative PSA | 0.23592 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 5.4739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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