[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C22H15N2O4BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C22H15N2O4BrCl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cc(OC(c(cccc2)c2Cl)=O)ccc1 |
| InChI | InChI=1S/C22H15BrCl2N2O4/c23-18-11-15(24)8-9-20(18)30-13-21(28)27-26-12-14-4-3-5-16(10-14)31-22(29)17-6-1-2-7-19(17)25/h1-12H,13H2,(H,27,28) |
| InChIK | BRWBXLJGQMMELR-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 | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| 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 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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