4-[[2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C27H22N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C27H22N2O5 |
| Smiles | OC(c1ccc(COc2c(/C=N\NC(COc3cccc4ccccc34)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C27H22N2O5/c30-26(18-34-25-11-5-8-20-6-1-3-9-23(20)25)29-28-16-22-7-2-4-10-24(22)33-17-19-12-14-21(15-13-19)27(31)32/h1-16H,17-18H2,(H,29,30)(H,31,32) |
| InChIK | RSNWBYQKMKHGQZ-UHFFFAOYSA-N |
| TotalMolweight | 454.481 |
| Molweight | 454.481 |
| MonoisotopicMass | 454.152873 |
| CLogP | 4.8041 |
| CLogS | -6.461 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 352.97 |
| Relative PSA | 0.23274 |
| PolarSurfaceArea | 97.22 |
| Druglikeness | 4.0197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off