(4Z)-4-[(4-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid
Formula:C17H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-[(4-hydroxybenzoyl)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C17H16N2O4 |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(c(cc1)ccc1O)=O)=O |
| InChI | InChI=1S/C17H16N2O4/c20-14-8-6-13(7-9-14)17(23)19-18-15(10-11-16(21)22)12-4-2-1-3-5-12/h1-9,20H,10-11H2,(H,19,23)(H,21,22) |
| InChIK | URPAHYUOKVMPOZ-UHFFFAOYSA-N |
| TotalMolweight | 312.324 |
| Molweight | 312.324 |
| MonoisotopicMass | 312.111008 |
| CLogP | 2.4263 |
| CLogS | -3.8 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 243.17 |
| Relative PSA | 0.30945 |
| PolarSurfaceArea | 98.99 |
| Druglikeness | 2.0174 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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