2-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile
Formula:C25H14N2O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile is a drug-like molecule.
| MolName | 2-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile |
| MolecularFormula | C25H14N2O2S2 |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=C(\C(N2c3cccc4ccccc34)=O)/SC2=S)o1 |
| InChI | InChI=1S/C25H14N2O2S2/c26-15-17-7-2-4-10-20(17)22-13-12-18(29-22)14-23-24(28)27(25(30)31-23)21-11-5-8-16-6-1-3-9-19(16)21/h1-14H |
| InChIK | VBNGACPOONQMPX-UHFFFAOYSA-N |
| TotalMolweight | 438.53 |
| Molweight | 438.53 |
| MonoisotopicMass | 438.049668 |
| CLogP | 4.8612 |
| CLogS | -8.822 |
| H Acceptors | 4 |
| TotalSurfaceArea | 328.24 |
| Relative PSA | 0.27343 |
| PolarSurfaceArea | 114.63 |
| Druglikeness | -0.515 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile | 2 - 2-[5-[(E)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzonitrile
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