[4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H20N2O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H20N2O4BrCl |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H20BrClN2O4/c29-23-10-15-26(36-28(34)21-4-2-1-3-5-21)22(16-23)17-31-32-27(33)20-8-13-25(14-9-20)35-18-19-6-11-24(30)12-7-19/h1-17H,18H2,(H,32,33) |
| InChIK | OLONDGTWADBUJT-UHFFFAOYSA-N |
| TotalMolweight | 563.834 |
| Molweight | 563.834 |
| MonoisotopicMass | 562.029496 |
| CLogP | 7.3114 |
| CLogS | -8.102 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 392.07 |
| Relative PSA | 0.17612 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.0481 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
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