[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Formula:C27H19N3O5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate |
| MolecularFormula | C27H19N3O5ClFS |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C27H19ClFN3O5S/c28-20-9-15-23(16-10-20)38(35,36)32-21-11-7-19(8-12-21)26(33)31-30-17-18-5-13-22(14-6-18)37-27(34)24-3-1-2-4-25(24)29/h1-17,32H,(H,31,33) |
| InChIK | QMVVLXLOGXDWPY-UHFFFAOYSA-N |
| TotalMolweight | 551.981 |
| Molweight | 551.981 |
| MonoisotopicMass | 551.071797 |
| CLogP | 5.638 |
| CLogS | -7.574 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 396.07 |
| Relative PSA | 0.25018 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 5.916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65789 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate | 2 - [4-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off