[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C22H16N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C22H16N2O5Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C22H16Cl2N2O5/c23-16-5-9-20(19(24)12-16)30-14-21(27)26-25-13-15-3-6-18(7-4-15)31-22(28)10-8-17-2-1-11-29-17/h1-13H,14H2,(H,26,27) |
| InChIK | ZTLCBGZNHONBPX-UHFFFAOYSA-N |
| TotalMolweight | 459.284 |
| Molweight | 459.284 |
| MonoisotopicMass | 458.043627 |
| CLogP | 4.9369 |
| CLogS | -6.495 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 345.29 |
| Relative PSA | 0.24084 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 1.9312 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
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