[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H14N2O4BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H14N2O4BrClS |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cc(OC(c2cccs2)=O)ccc1 |
| InChI | InChI=1S/C20H14BrClN2O4S/c21-16-10-14(22)6-7-17(16)27-12-19(25)24-23-11-13-3-1-4-15(9-13)28-20(26)18-5-2-8-29-18/h1-11H,12H2,(H,24,25) |
| InChIK | HEMVUNIAPJZFIB-UHFFFAOYSA-N |
| TotalMolweight | 493.764 |
| Molweight | 493.764 |
| MonoisotopicMass | 491.954616 |
| CLogP | 5.4048 |
| CLogS | -6.551 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.25 |
| Relative PSA | 0.27238 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 4.2064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off