(4E)-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C21H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4E)-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C21H18N2O4 |
| Smiles | OC(CC/C(/c1ccccc1)=N\NC(c1cc2ccccc2cc1O)=O)=O |
| InChI | InChI=1S/C21H18N2O4/c24-19-13-16-9-5-4-8-15(16)12-17(19)21(27)23-22-18(10-11-20(25)26)14-6-2-1-3-7-14/h1-9,12-13,24H,10-11H2,(H,23,27)(H,25,26) |
| InChIK | DFNYZEPHUATRQZ-UHFFFAOYSA-N |
| TotalMolweight | 362.384 |
| Molweight | 362.384 |
| MonoisotopicMass | 362.126658 |
| CLogP | 3.6207 |
| CLogS | -5.406 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 277.77 |
| Relative PSA | 0.27091 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 2.0174 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]-4-phenylbutanoic acid | 2 - (4E)-4-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]-4-phenylbutanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off