3-[(2Z)-2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]propanenitrile
Formula:C11H11N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]propanenitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]propanenitrile |
| MolecularFormula | C11H11N3OF2 |
| Smiles | N#CCCN/N=C\c1cccc(OC(F)F)c1 |
| InChI | InChI=1S/C11H11F2N3O/c12-11(13)17-10-4-1-3-9(7-10)8-16-15-6-2-5-14/h1,3-4,7-8,11,15H,2,6H2 |
| InChIK | SOYYVLIRDZEALS-UHFFFAOYSA-N |
| TotalMolweight | 239.224 |
| Molweight | 239.224 |
| MonoisotopicMass | 239.087018 |
| CLogP | 1.9768 |
| CLogS | -3.609 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 193.91 |
| Relative PSA | 0.23996 |
| PolarSurfaceArea | 57.41 |
| Druglikeness | -7.1837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| StereoCon |
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