[4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C22H15N2O4BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C22H15N2O4BrCl2 |
| Smiles | O=C(COc(cccc1Cl)c1Cl)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H15BrCl2N2O4/c23-16-8-6-15(7-9-16)22(29)31-17-10-4-14(5-11-17)12-26-27-20(28)13-30-19-3-1-2-18(24)21(19)25/h1-12H,13H2,(H,27,28) |
| InChIK | ICJUVOKJHVFDPL-UHFFFAOYSA-N |
| TotalMolweight | 522.181 |
| Molweight | 522.181 |
| MonoisotopicMass | 519.959223 |
| CLogP | 6.1442 |
| CLogS | -7.277 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.73 |
| Relative PSA | 0.19857 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.2306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off