[4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C21H15N2O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C21H15N2O5Br |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C21H15BrN2O5/c22-15-6-9-19(29-21(28)13-4-2-1-3-5-13)14(10-15)12-23-24-20(27)17-8-7-16(25)11-18(17)26/h1-12,25-26H,(H,24,27) |
| InChIK | FLFSFXVMWDYGPN-UHFFFAOYSA-N |
| TotalMolweight | 455.263 |
| Molweight | 455.263 |
| MonoisotopicMass | 454.016434 |
| CLogP | 4.6659 |
| CLogS | -5.433 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 305.83 |
| Relative PSA | 0.27875 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 2.2078 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off