[3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C21H16N2O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C21H16N2O5 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cc(OC(/C=C/c2ccco2)=O)ccc1)=O |
| InChI | InChI=1S/C21H16N2O5/c24-19-9-2-1-8-18(19)21(26)23-22-14-15-5-3-6-17(13-15)28-20(25)11-10-16-7-4-12-27-16/h1-14,24H,(H,23,26) |
| InChIK | ZEVHCQFNKCJRLL-UHFFFAOYSA-N |
| TotalMolweight | 376.367 |
| Molweight | 376.367 |
| MonoisotopicMass | 376.105923 |
| CLogP | 3.8043 |
| CLogS | -4.947 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 297.04 |
| Relative PSA | 0.2904 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 1.8325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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