(4Z)-4-[(2-naphthalen-1-ylacetyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C22H20N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[(2-naphthalen-1-ylacetyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-[(2-naphthalen-1-ylacetyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C22H20N2O3 |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(Cc1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C22H20N2O3/c25-21(15-18-11-6-10-16-7-4-5-12-19(16)18)24-23-20(13-14-22(26)27)17-8-2-1-3-9-17/h1-12H,13-15H2,(H,24,25)(H,26,27) |
| InChIK | LPIGZRLHBUNPAZ-UHFFFAOYSA-N |
| TotalMolweight | 360.412 |
| Molweight | 360.412 |
| MonoisotopicMass | 360.147393 |
| CLogP | 3.9645 |
| CLogS | -5.667 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 285.18 |
| Relative PSA | 0.21793 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 2.2064 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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