methyl N-[(Z)-(2,4-difluorophenyl)methylideneamino]carbamate
Formula:C9H8N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
methyl N-[(Z)-(2,4-difluorophenyl)methylideneamino]carbamate is a drug-like molecule.
| MolName | methyl N-[(Z)-(2,4-difluorophenyl)methylideneamino]carbamate |
| MolecularFormula | C9H8N2O2F2 |
| Smiles | COC(N/N=C\c(ccc(F)c1)c1F)=O |
| InChI | InChI=1S/C9H8F2N2O2/c1-15-9(14)13-12-5-6-2-3-7(10)4-8(6)11/h2-5H,1H3,(H,13,14) |
| InChIK | XLNVDGVISBKYEN-UHFFFAOYSA-N |
| TotalMolweight | 214.171 |
| Molweight | 214.171 |
| MonoisotopicMass | 214.055384 |
| CLogP | 2.1626 |
| CLogS | -3.494 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 162.19 |
| Relative PSA | 0.28368 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -5.19E-04 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - methyl N-[(Z)-(2,4-difluorophenyl)methylideneamino]carbamate | 2 - methyl N-[(Z)-(2,4-difluorophenyl)methylideneamino]carbamate
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