[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C28H21N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C28H21N2O4Br |
| Smiles | OC(C(N/N=C\c(cc1)ccc1OC(c1cccc(Br)c1)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H21BrN2O4/c29-24-13-7-8-21(18-24)26(32)35-25-16-14-20(15-17-25)19-30-31-27(33)28(34,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-19,34H,(H,31,33) |
| InChIK | QIENIMMAPWZUJV-UHFFFAOYSA-N |
| TotalMolweight | 529.389 |
| Molweight | 529.389 |
| MonoisotopicMass | 528.068469 |
| CLogP | 5.6376 |
| CLogS | -6.731 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 369.65 |
| Relative PSA | 0.19518 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 3.3604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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