(4Z)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid
Formula:C16H15N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4Z)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid is a drug-like molecule.
| MolName | (4Z)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid |
| MolecularFormula | C16H15N3O3 |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(c1ccncc1)=O)=O |
| InChI | InChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21) |
| InChIK | KUKGXWMNCZIDQD-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.111342 |
| CLogP | 1.7711 |
| CLogS | -3.301 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.58 |
| Relative PSA | 0.31038 |
| PolarSurfaceArea | 91.65 |
| Druglikeness | 2.0174 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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