[3-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C28H21N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C28H21N2O4Br |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c1cccc(OC(c2cccc(Br)c2)=O)c1 |
| InChI | InChI=1S/C28H21BrN2O4/c29-24-10-5-9-23(17-24)28(33)35-26-11-4-6-20(16-26)18-30-31-27(32)19-34-25-14-12-22(13-15-25)21-7-2-1-3-8-21/h1-18H,19H2,(H,31,32) |
| InChIK | FPVXYCMSAIPCNC-UHFFFAOYSA-N |
| TotalMolweight | 529.389 |
| Molweight | 529.389 |
| MonoisotopicMass | 528.068469 |
| CLogP | 6.5914 |
| CLogS | -7.891 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 376.65 |
| Relative PSA | 0.18333 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.1789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [3-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [3-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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