[4-bromo-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H14N2O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H14N2O4BrCl |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C21H14BrClN2O4/c22-15-7-10-19(29-21(28)13-5-8-16(23)9-6-13)14(11-15)12-24-25-20(27)17-3-1-2-4-18(17)26/h1-12,26H,(H,25,27) |
| InChIK | FQKHKPPNTBRMNS-UHFFFAOYSA-N |
| TotalMolweight | 473.709 |
| Molweight | 473.709 |
| MonoisotopicMass | 471.982546 |
| CLogP | 5.6176 |
| CLogS | -6.465 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 314.9 |
| Relative PSA | 0.22912 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 2.2544 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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