N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C19H13N2O3BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C19H13N2O3BrCl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1ccc(-c2cccc(Br)c2)o1 |
| InChI | InChI=1S/C19H13BrCl2N2O3/c20-13-3-1-2-12(8-13)17-7-5-15(27-17)10-23-24-19(25)11-26-18-6-4-14(21)9-16(18)22/h1-10H,11H2,(H,24,25) |
| InChIK | FCHBFGPWLDFRQS-UHFFFAOYSA-N |
| TotalMolweight | 468.133 |
| Molweight | 468.133 |
| MonoisotopicMass | 465.948658 |
| CLogP | 5.6526 |
| CLogS | -7.267 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.67 |
| Relative PSA | 0.19414 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.6437 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide | 2 - N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
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