[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
Formula:C20H15N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C20H15N2O4BrS |
| Smiles | O=C(c(cc1)ccc1Br)Oc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1 |
| InChI | InChI=1S/C20H15BrN2O4S/c21-17-10-8-16(9-11-17)20(24)27-18-12-6-15(7-13-18)14-22-23-28(25,26)19-4-2-1-3-5-19/h1-14,23H |
| InChIK | CMDKJKWZUYVSHB-UHFFFAOYSA-N |
| TotalMolweight | 459.319 |
| Molweight | 459.319 |
| MonoisotopicMass | 457.993589 |
| CLogP | 4.4328 |
| CLogS | -4.22 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.96 |
| Relative PSA | 0.24539 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -7.074 |
| 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 |
Click to Load Molecule:
1 - [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off