(4E)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoic acid
Formula:C17H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4E)-4-[(3-chlorophenyl)carbamoylhydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C17H16N3O3Cl |
| Smiles | OC(CC/C(/c1ccccc1)=N\NC(Nc1cccc(Cl)c1)=O)=O |
| InChI | InChI=1S/C17H16ClN3O3/c18-13-7-4-8-14(11-13)19-17(24)21-20-15(9-10-16(22)23)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,22,23)(H2,19,21,24) |
| InChIK | FEDTXGXAFMZPML-UHFFFAOYSA-N |
| TotalMolweight | 345.785 |
| Molweight | 345.785 |
| MonoisotopicMass | 345.088019 |
| CLogP | 3.3719 |
| CLogS | -5.348 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 263.7 |
| Relative PSA | 0.27914 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 1.614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| 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 | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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