[4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H14N2O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H14N2O4Cl2S |
| Smiles | O=C(COc1cccc(Cl)c1Cl)N/N=C\c(cc1)ccc1OC(c1cccs1)=O |
| InChI | InChI=1S/C20H14Cl2N2O4S/c21-15-3-1-4-16(19(15)22)27-12-18(25)24-23-11-13-6-8-14(9-7-13)28-20(26)17-5-2-10-29-17/h1-11H,12H2,(H,24,25) |
| InChIK | NYBOKPAZGRHMLX-UHFFFAOYSA-N |
| TotalMolweight | 449.313 |
| Molweight | 449.313 |
| MonoisotopicMass | 448.005132 |
| CLogP | 5.2856 |
| CLogS | -6.453 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 325.04 |
| Relative PSA | 0.27507 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 5.9964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off