(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Formula:C22H12N2OCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile |
| MolecularFormula | C22H12N2OCl2S |
| Smiles | N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C22H12Cl2N2OS/c23-18-8-4-7-17(21(18)24)20-10-9-16(27-20)11-15(12-25)22-26-19(13-28-22)14-5-2-1-3-6-14/h1-11,13H |
| InChIK | QQOYLSXQWMZJOS-UHFFFAOYSA-N |
| TotalMolweight | 423.322 |
| Molweight | 423.322 |
| MonoisotopicMass | 422.004737 |
| CLogP | 6.0638 |
| CLogS | -7.369 |
| H Acceptors | 3 |
| TotalSurfaceArea | 314.19 |
| Relative PSA | 0.18778 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -0.65757 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile | 2 - (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
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