2-[4-bromo-2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C14H12N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-bromo-2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-bromo-2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C14H12N3O3Br |
| Smiles | OC(COc(cc1)c(/C=N\Nc2ncccc2)cc1Br)=O |
| InChI | InChI=1S/C14H12BrN3O3/c15-11-4-5-12(21-9-14(19)20)10(7-11)8-17-18-13-3-1-2-6-16-13/h1-8H,9H2,(H,16,18)(H,19,20) |
| InChIK | GMFYYSUEPKYPRH-UHFFFAOYSA-N |
| TotalMolweight | 350.171 |
| Molweight | 350.171 |
| MonoisotopicMass | 349.006203 |
| CLogP | 3.8062 |
| CLogS | -3.506 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 234.49 |
| Relative PSA | 0.29886 |
| PolarSurfaceArea | 83.81 |
| Druglikeness | 0.2045 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-bromo-2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-bromo-2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off