[2-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 2-chlorobenzoate
Formula:C22H17N3O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 2-chlorobenzoate |
| MolecularFormula | C22H17N3O3BrCl |
| Smiles | O=C(CNc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C22H17BrClN3O3/c23-16-10-11-20(30-22(29)18-8-4-5-9-19(18)24)15(12-16)13-26-27-21(28)14-25-17-6-2-1-3-7-17/h1-13,25H,14H2,(H,27,28) |
| InChIK | YKTHXJJNOJLBBZ-UHFFFAOYSA-N |
| TotalMolweight | 486.752 |
| Molweight | 486.752 |
| MonoisotopicMass | 485.01418 |
| CLogP | 5.2552 |
| CLogS | -6.583 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 333.77 |
| Relative PSA | 0.21125 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.9262 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 2-chlorobenzoate | 2 - [2-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 2-chlorobenzoate
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