| MolName | [(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate |
| MolecularFormula | C15H12N5O3ClS |
| Smiles | Nc1nnc(CC(ON/N=C\c2ccc(-c3cccc(Cl)c3)o2)=O)s1 |
| InChI | InChI=1S/C15H12ClN5O3S/c16-10-3-1-2-9(6-10)12-5-4-11(23-12)8-18-21-24-14(22)7-13-19-20-15(17)25-13/h1-6,8,21H,7H2,(H2,17,20) |
| InChIK | DKWDUZHAXHXDQC-UHFFFAOYSA-N |
| TotalMolweight | 377.811 |
| Molweight | 377.811 |
| MonoisotopicMass | 377.034937 |
| CLogP | 3.6268 |
| CLogS | -5.215 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 277.6 |
| Relative PSA | 0.42396 |
| PolarSurfaceArea | 143.87 |
| Druglikeness | 0.79277 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate | 2 - [(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl] 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate