[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C21H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C21H15N2O3Br |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C21H15BrN2O3/c22-19-9-5-4-8-18(19)20(25)24-23-14-15-10-12-17(13-11-15)27-21(26)16-6-2-1-3-7-16/h1-14H,(H,24,25) |
| InChIK | UNSKLNMPEUQJGJ-UHFFFAOYSA-N |
| TotalMolweight | 423.265 |
| Molweight | 423.265 |
| MonoisotopicMass | 422.026604 |
| CLogP | 5.3573 |
| CLogS | -6.025 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.13 |
| Relative PSA | 0.20145 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
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