(4E)-4-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C17H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4E)-4-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C17H15N2O4Cl |
| Smiles | OC(CC/C(/c1ccccc1)=N\NC(c(cc(cc1)Cl)c1O)=O)=O |
| InChI | InChI=1S/C17H15ClN2O4/c18-12-6-8-15(21)13(10-12)17(24)20-19-14(7-9-16(22)23)11-4-2-1-3-5-11/h1-6,8,10,21H,7,9H2,(H,20,24)(H,22,23) |
| InChIK | MJQPLSJTUDWPBJ-UHFFFAOYSA-N |
| TotalMolweight | 346.769 |
| Molweight | 346.769 |
| MonoisotopicMass | 346.072035 |
| CLogP | 3.0323 |
| CLogS | -4.536 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 258.59 |
| Relative PSA | 0.291 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 2.0828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid | 2 - (4E)-4-[(5-chloro-2-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off