2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetic acid
Formula:C9H8NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetic acid is a drug-like molecule.
| MolName | 2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetic acid |
| MolecularFormula | C9H8NO3Br |
| Smiles | OC(CO/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C9H8BrNO3/c10-8-4-2-1-3-7(8)5-11-14-6-9(12)13/h1-5H,6H2,(H,12,13) |
| InChIK | LTQZGBARTYTADJ-UHFFFAOYSA-N |
| TotalMolweight | 258.071 |
| Molweight | 258.071 |
| MonoisotopicMass | 256.968755 |
| CLogP | 2.2728 |
| CLogS | -2.928 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 164.51 |
| Relative PSA | 0.28965 |
| PolarSurfaceArea | 58.89 |
| Druglikeness | -1.2914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetic acid | 2 - 2-[(Z)-(2-bromophenyl)methylideneamino]oxyacetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off