[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C22H17N2O5Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C22H17N2O5Cl |
| Smiles | O=C(COc1cccc(Cl)c1)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C22H17ClN2O5/c23-17-3-1-4-20(13-17)29-15-21(26)25-24-14-16-6-8-19(9-7-16)30-22(27)11-10-18-5-2-12-28-18/h1-14H,15H2,(H,25,26) |
| InChIK | AMLUMROUWVSHBB-UHFFFAOYSA-N |
| TotalMolweight | 424.839 |
| Molweight | 424.839 |
| MonoisotopicMass | 424.0826 |
| CLogP | 4.3309 |
| CLogS | -5.759 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 329.87 |
| Relative PSA | 0.2521 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 1.9312 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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