[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H21N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H21N2O4Br |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H21BrN2O4/c29-23-15-16-25(35-28(33)21-11-5-2-6-12-21)22(17-23)18-30-31-27(32)24-13-7-8-14-26(24)34-19-20-9-3-1-4-10-20/h1-18H,19H2,(H,31,32) |
| InChIK | HFUXTUAESXWODH-UHFFFAOYSA-N |
| TotalMolweight | 529.389 |
| Molweight | 529.389 |
| MonoisotopicMass | 528.068469 |
| CLogP | 6.7054 |
| CLogS | -7.366 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 376.65 |
| Relative PSA | 0.18333 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.9957 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| 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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