[(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
Formula:C19H11N2O3Cl2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate is not a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate |
| MolecularFormula | C19H11N2O3Cl2F3 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c1c(C(F)(F)F)oc(-c(cc2)ccc2Cl)c1)=O |
| InChI | InChI=1S/C19H11Cl2F3N2O3/c20-12-5-1-10(2-6-12)15-9-14(16(28-15)19(22,23)24)18(27)29-26-17(25)11-3-7-13(21)8-4-11/h1-9H,(H2,25,26) |
| InChIK | JDTKQDUEAOPONH-UHFFFAOYSA-N |
| TotalMolweight | 443.207 |
| Molweight | 443.207 |
| MonoisotopicMass | 442.009881 |
| CLogP | 6.0713 |
| CLogS | -7.246 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.01 |
| Relative PSA | 0.21168 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -10.664 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
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