[4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C28H19N2O4BrCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C28H19N2O4BrCl2 |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C28H19BrCl2N2O4/c29-21-9-14-26(37-28(35)24-3-1-2-4-25(24)31)20(15-21)16-32-33-27(34)19-7-12-23(13-8-19)36-17-18-5-10-22(30)11-6-18/h1-16H,17H2,(H,33,34) |
| InChIK | JRFYNMOIOUUVQE-UHFFFAOYSA-N |
| TotalMolweight | 598.279 |
| Molweight | 598.279 |
| MonoisotopicMass | 595.990523 |
| CLogP | 7.9174 |
| CLogS | -8.838 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 407.49 |
| Relative PSA | 0.16945 |
| 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 | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 - [4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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