4-[[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxymethyl]benzonitrile
Formula:C16H12N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxymethyl]benzonitrile is a drug-like molecule.
| MolName | 4-[[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxymethyl]benzonitrile |
| MolecularFormula | C16H12N2O2F2 |
| Smiles | N#Cc1ccc(CO/N=C\c(cc2)ccc2OC(F)F)cc1 |
| InChI | InChI=1S/C16H12F2N2O2/c17-16(18)22-15-7-5-13(6-8-15)10-20-21-11-14-3-1-12(9-19)2-4-14/h1-8,10,16H,11H2 |
| InChIK | DAGGVLFSOBIKLA-UHFFFAOYSA-N |
| TotalMolweight | 302.279 |
| Molweight | 302.279 |
| MonoisotopicMass | 302.086684 |
| CLogP | 3.8407 |
| CLogS | -5.037 |
| H Acceptors | 4 |
| TotalSurfaceArea | 238.45 |
| Relative PSA | 0.18901 |
| PolarSurfaceArea | 54.61 |
| Druglikeness | -6.9058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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