(3Z)-3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-(2,5-dichlorothiophen-3-yl)propan-1-one
Formula:C14H9NO2Cl3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-(2,5-dichlorothiophen-3-yl)propan-1-one is not a drug-like molecule.
| MolName | (3Z)-3-[(2-chloro-6-fluorophenyl)methoxyimino]-1-(2,5-dichlorothiophen-3-yl)propan-1-one |
| MolecularFormula | C14H9NO2Cl3FS |
| Smiles | O=C(C/C=N\OCc(c(F)ccc1)c1Cl)c(cc(s1)Cl)c1Cl |
| InChI | InChI=1S/C14H9Cl3FNO2S/c15-10-2-1-3-11(18)9(10)7-21-19-5-4-12(20)8-6-13(16)22-14(8)17/h1-3,5-6H,4,7H2 |
| InChIK | GFJQBSIDTQFCDU-UHFFFAOYSA-N |
| TotalMolweight | 380.653 |
| Molweight | 380.653 |
| MonoisotopicMass | 378.940358 |
| CLogP | 5.2016 |
| CLogS | -6.436 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.6 |
| Relative PSA | 0.2099 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 1.0556 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 3-halo-enone |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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