[(E)-[amino-[3,5-dibromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]amino] 3,5-dichlorobenzoate
Formula:C21H12N2O3Br2Cl3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[3,5-dibromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]amino] 3,5-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-[3,5-dibromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]amino] 3,5-dichlorobenzoate |
| MolecularFormula | C21H12N2O3Br2Cl3F |
| Smiles | N/C(/c(cc1Br)cc(Br)c1OCc(c(F)ccc1)c1Cl)=N/OC(c1cc(Cl)cc(Cl)c1)=O |
| InChI | InChI=1S/C21H12Br2Cl3FN2O3/c22-15-6-10(20(28)29-32-21(30)11-4-12(24)8-13(25)5-11)7-16(23)19(15)31-9-14-17(26)2-1-3-18(14)27/h1-8H,9H2,(H2,28,29) |
| InChIK | ADEDLKGPXKFAHQ-UHFFFAOYSA-N |
| TotalMolweight | 625.502 |
| Molweight | 625.502 |
| MonoisotopicMass | 621.826424 |
| CLogP | 7.7894 |
| CLogS | -9.067 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 365.65 |
| Relative PSA | 0.1636 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -5.9258 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [(E)-[amino-[3,5-dibromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]amino] 3,5-dichlorobenzoate | 2 - [(E)-[amino-[3,5-dibromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]amino] 3,5-dichlorobenzoate
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