2-[2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C18H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C18H15N3O4 |
| Smiles | OC(COc1c(/C=N\NC(c2c[nH]c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C18H15N3O4/c22-17(23)11-25-16-8-4-1-5-12(16)9-20-21-18(24)14-10-19-15-7-3-2-6-13(14)15/h1-10,19H,11H2,(H,21,24)(H,22,23) |
| InChIK | OJEGHQJORSLWAC-UHFFFAOYSA-N |
| TotalMolweight | 337.334 |
| Molweight | 337.334 |
| MonoisotopicMass | 337.106257 |
| CLogP | 2.301 |
| CLogS | -4.039 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 259.02 |
| Relative PSA | 0.33256 |
| PolarSurfaceArea | 103.78 |
| Druglikeness | 5.3018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off