[4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Formula:C22H15N3O6BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate |
| MolecularFormula | C22H15N3O6BrCl |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1)=O)=O |
| InChI | InChI=1S/C22H15BrClN3O6/c23-19-11-16(24)5-10-20(19)32-13-21(28)26-25-12-14-1-8-18(9-2-14)33-22(29)15-3-6-17(7-4-15)27(30)31/h1-12H,13H2,(H,26,28) |
| InChIK | JTGCLGKRTJMBKD-UHFFFAOYSA-N |
| TotalMolweight | 532.733 |
| Molweight | 532.733 |
| MonoisotopicMass | 530.983275 |
| CLogP | 4.6166 |
| CLogS | -7.001 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 355.98 |
| Relative PSA | 0.27943 |
| PolarSurfaceArea | 122.81 |
| Druglikeness | -2.8167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
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