2-[(Z)-2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Formula:C23H13N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2-[(Z)-2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| MolecularFormula | C23H13N2O2F3S |
| Smiles | N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S/C=C(/c1cc(cccc2)c2o1)\O |
| InChI | InChI=1S/C23H13F3N2O2S/c24-23(25,26)17-11-18(14-6-2-1-3-7-14)28-22(16(17)12-27)31-13-19(29)21-10-15-8-4-5-9-20(15)30-21/h1-11,13,29H |
| InChIK | VXFVTVJZTIWEBV-UHFFFAOYSA-N |
| TotalMolweight | 438.428 |
| Molweight | 438.428 |
| MonoisotopicMass | 438.064982 |
| CLogP | 5.2442 |
| CLogS | -7.153 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.55 |
| Relative PSA | 0.21939 |
| PolarSurfaceArea | 95.35 |
| Druglikeness | -11.591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile | 2 - 2-[(Z)-2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
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