[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C19H14N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C19H14N2O4S |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O |
| InChI | InChI=1S/C19H14N2O4S/c22-16-5-2-1-4-15(16)18(23)21-20-12-13-7-9-14(10-8-13)25-19(24)17-6-3-11-26-17/h1-12,22H,(H,21,23) |
| InChIK | SRPYIZIZVAHLQG-UHFFFAOYSA-N |
| TotalMolweight | 366.396 |
| Molweight | 366.396 |
| MonoisotopicMass | 366.067428 |
| CLogP | 4.153 |
| CLogS | -4.905 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.79 |
| Relative PSA | 0.33422 |
| PolarSurfaceArea | 116.23 |
| Druglikeness | 5.9516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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