[3-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Formula:C22H14N2O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H14N2O5Cl2 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C22H14Cl2N2O5/c23-15-5-6-17(18(24)10-15)22(28)31-16-3-1-2-13(8-16)11-25-26-21(27)14-4-7-19-20(9-14)30-12-29-19/h1-11H,12H2,(H,26,27) |
| InChIK | QUBRRHDLQVRRQZ-UHFFFAOYSA-N |
| TotalMolweight | 457.268 |
| Molweight | 457.268 |
| MonoisotopicMass | 456.027977 |
| CLogP | 5.9555 |
| CLogS | -7.374 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.6 |
| Relative PSA | 0.24278 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.0013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off