[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C22H18N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C22H18N2O4 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1cccc(OC(/C=C/c2ccco2)=O)c1 |
| InChI | InChI=1S/C22H18N2O4/c25-21(15-17-6-2-1-3-7-17)24-23-16-18-8-4-9-20(14-18)28-22(26)12-11-19-10-5-13-27-19/h1-14,16H,15H2,(H,24,25) |
| InChIK | DRBRYLVOXIMHBJ-UHFFFAOYSA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 4.1481 |
| CLogS | -5.208 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.45 |
| Relative PSA | 0.2403 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 1.9131 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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