[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C19H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C19H14N2O4 |
| Smiles | O=C(c1ccco1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C19H14N2O4/c22-18(17-7-4-12-24-17)21-20-13-14-8-10-16(11-9-14)25-19(23)15-5-2-1-3-6-15/h1-13H,(H,21,22) |
| InChIK | DVMCEAISASACHT-UHFFFAOYSA-N |
| TotalMolweight | 334.33 |
| Molweight | 334.33 |
| MonoisotopicMass | 334.095358 |
| CLogP | 3.8208 |
| CLogS | -4.873 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.19 |
| Relative PSA | 0.27692 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 4.2027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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