3-[(2Z)-2-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylidene]hydrazinyl]propanenitrile
Formula:C15H13N3OF2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(2Z)-2-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylidene]hydrazinyl]propanenitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylidene]hydrazinyl]propanenitrile |
| MolecularFormula | C15H13N3OF2S |
| Smiles | N#CCCN/N=C\c1ccc(-c(cc2)ccc2SC(F)F)o1 |
| InChI | InChI=1S/C15H13F2N3OS/c16-15(17)22-13-5-2-11(3-6-13)14-7-4-12(21-14)10-20-19-9-1-8-18/h2-7,10,15,19H,1,9H2 |
| InChIK | JBJXDPOWDYWULO-UHFFFAOYSA-N |
| TotalMolweight | 321.35 |
| Molweight | 321.35 |
| MonoisotopicMass | 321.074738 |
| CLogP | 4.6412 |
| CLogS | -5.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.85 |
| Relative PSA | 0.2716 |
| PolarSurfaceArea | 86.62 |
| Druglikeness | -5.0348 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| StereoCon |
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