[4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H13N3O5Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H13N3O5Cl2 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1ccco1)=O)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C20H13Cl2N3O5/c21-13-5-8-15(22)16(10-13)24-18(26)19(27)25-23-11-12-3-6-14(7-4-12)30-20(28)17-2-1-9-29-17/h1-11H,(H,24,26)(H,25,27) |
| InChIK | UGZMYJQATRATIB-UHFFFAOYSA-N |
| TotalMolweight | 446.245 |
| Molweight | 446.245 |
| MonoisotopicMass | 445.023226 |
| CLogP | 3.9751 |
| CLogS | -6.149 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 324.24 |
| Relative PSA | 0.3012 |
| PolarSurfaceArea | 110 |
| Druglikeness | 3.6246 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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