[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H14N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H14N3O5Cl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1ccco1)=O)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C20H14ClN3O5/c21-15-4-1-2-5-16(15)23-18(25)19(26)24-22-12-13-7-9-14(10-8-13)29-20(27)17-6-3-11-28-17/h1-12H,(H,23,25)(H,24,26) |
| InChIK | VPKZEMGLKKAXEA-UHFFFAOYSA-N |
| TotalMolweight | 411.8 |
| Molweight | 411.8 |
| MonoisotopicMass | 411.062199 |
| CLogP | 3.3691 |
| CLogS | -5.413 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 308.82 |
| Relative PSA | 0.31624 |
| PolarSurfaceArea | 110 |
| Druglikeness | 3.6246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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