(4Z)-4-phenyl-4-(thiophene-2-carbonylhydrazinylidene)butanoic acid
Formula:C15H14N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-phenyl-4-(thiophene-2-carbonylhydrazinylidene)butanoic acid is a drug-like molecule.
| MolName | (4Z)-4-phenyl-4-(thiophene-2-carbonylhydrazinylidene)butanoic acid |
| MolecularFormula | C15H14N2O3S |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(c1cccs1)=O)=O |
| InChI | InChI=1S/C15H14N2O3S/c18-14(19)9-8-12(11-5-2-1-3-6-11)16-17-15(20)13-7-4-10-21-13/h1-7,10H,8-9H2,(H,17,20)(H,18,19) |
| InChIK | SKHUWHZPIJZMMR-UHFFFAOYSA-N |
| TotalMolweight | 302.353 |
| Molweight | 302.353 |
| MonoisotopicMass | 302.072513 |
| CLogP | 2.6386 |
| CLogS | -4.106 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 232.76 |
| Relative PSA | 0.35449 |
| PolarSurfaceArea | 107 |
| Druglikeness | 4.1434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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