(4Z)-4-[(2-phenoxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C18H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(2-phenoxyacetyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-[(2-phenoxyacetyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C18H18N2O4 |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(COc1ccccc1)=O)=O |
| InChI | InChI=1S/C18H18N2O4/c21-17(13-24-15-9-5-2-6-10-15)20-19-16(11-12-18(22)23)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,21)(H,22,23) |
| InChIK | AOHHOFCSWXJKDL-UHFFFAOYSA-N |
| TotalMolweight | 326.351 |
| Molweight | 326.351 |
| MonoisotopicMass | 326.126658 |
| CLogP | 2.3469 |
| CLogS | -3.876 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 260.58 |
| Relative PSA | 0.27688 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 2.0702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[(2-phenoxyacetyl)hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[(2-phenoxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
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