[4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C20H16N2O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C20H16N2O4S |
| Smiles | O=C(Cc1cccs1)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C20H16N2O4S/c23-19(13-18-4-2-12-27-18)22-21-14-15-5-7-17(8-6-15)26-20(24)10-9-16-3-1-11-25-16/h1-12,14H,13H2,(H,22,23) |
| InChIK | FAAWHVICCRRJRW-UHFFFAOYSA-N |
| TotalMolweight | 380.423 |
| Molweight | 380.423 |
| MonoisotopicMass | 380.083078 |
| CLogP | 4.0147 |
| CLogS | -5.218 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.39 |
| Relative PSA | 0.31133 |
| PolarSurfaceArea | 109.14 |
| Druglikeness | 3.4389 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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