[3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C23H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C23H16N2O4S |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1cccc(OC(c2cccs2)=O)c1)=O |
| InChI | InChI=1S/C23H16N2O4S/c26-20-13-17-7-2-1-6-16(17)12-19(20)22(27)25-24-14-15-5-3-8-18(11-15)29-23(28)21-9-4-10-30-21/h1-14,26H,(H,25,27) |
| InChIK | HMAGFZUILQWHTP-UHFFFAOYSA-N |
| TotalMolweight | 416.456 |
| Molweight | 416.456 |
| MonoisotopicMass | 416.083078 |
| CLogP | 5.3474 |
| CLogS | -6.511 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 311.39 |
| Relative PSA | 0.29709 |
| 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 | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| StereoCon |
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