3-[(2Z)-2-[(2-fluorophenyl)methoxyimino]ethyl]-4-phenylthiophene-2,5-dicarbonitrile
Formula:C21H14N3OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(2-fluorophenyl)methoxyimino]ethyl]-4-phenylthiophene-2,5-dicarbonitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-[(2-fluorophenyl)methoxyimino]ethyl]-4-phenylthiophene-2,5-dicarbonitrile |
| MolecularFormula | C21H14N3OFS |
| Smiles | N#Cc1c(C/C=N\OCc(cccc2)c2F)c(-c2ccccc2)c(C#N)s1 |
| InChI | InChI=1S/C21H14FN3OS/c22-18-9-5-4-8-16(18)14-26-25-11-10-17-19(12-23)27-20(13-24)21(17)15-6-2-1-3-7-15/h1-9,11H,10,14H2 |
| InChIK | CFRZOMUBVOYLHQ-UHFFFAOYSA-N |
| TotalMolweight | 375.426 |
| Molweight | 375.426 |
| MonoisotopicMass | 375.08416 |
| CLogP | 4.9029 |
| CLogS | -7.595 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.77 |
| Relative PSA | 0.22938 |
| PolarSurfaceArea | 97.41 |
| Druglikeness | -3.5418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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