[4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C28H20N2O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C28H20N2O4BrCl |
| Smiles | O=C(c(cccc1)c1OCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C28H20BrClN2O4/c29-22-11-9-21(10-12-22)28(34)36-24-15-7-19(8-16-24)17-31-32-27(33)25-3-1-2-4-26(25)35-18-20-5-13-23(30)14-6-20/h1-17H,18H2,(H,32,33) |
| InChIK | DLMBRBRTCBAUJG-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 | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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