2-[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetate
Formula:C13H13N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C13H13N2O4 |
| Smiles | [O-]C(COc1ccc(/C=N\NC(C2CC2)=O)cc1)=O |
| InChI | InChI=1S/C13H14N2O4/c16-12(17)8-19-11-5-1-9(2-6-11)7-14-15-13(18)10-3-4-10/h1-2,5-7,10H,3-4,8H2,(H,15,18)(H,16,17)/p-1 |
| InChIK | PXDLNWSFQPFHDF-UHFFFAOYSA-M |
| TotalMolweight | 261.256 |
| Molweight | 261.256 |
| MonoisotopicMass | 261.087533 |
| CLogP | -0.9401 |
| CLogS | -2.86 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 202.79 |
| Relative PSA | 0.36161 |
| PolarSurfaceArea | 90.82 |
| Druglikeness | 5.5928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenoxy]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off