2-[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C23H19N2O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C23H19N2O5Br |
| Smiles | OC(C(N/N=C\c(cc(cc1)Br)c1OCC(O)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H19BrN2O5/c24-19-11-12-20(31-15-21(27)28)16(13-19)14-25-26-22(29)23(30,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,30H,15H2,(H,26,29)(H,27,28) |
| InChIK | XRVJDAWGCSRVDW-UHFFFAOYSA-N |
| TotalMolweight | 483.317 |
| Molweight | 483.317 |
| MonoisotopicMass | 482.047734 |
| CLogP | 3.2671 |
| CLogS | -5.054 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 330 |
| Relative PSA | 0.25833 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 3.4974 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off