2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
Formula:C9H10N4OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]guanidine |
| MolecularFormula | C9H10N4OF2 |
| Smiles | NC(N)=N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C9H10F2N4O/c10-8(11)16-7-3-1-6(2-4-7)5-14-15-9(12)13/h1-5,8H,(H4,12,13,15) |
| InChIK | XAKOYPAGRZGEFF-UHFFFAOYSA-N |
| TotalMolweight | 228.201 |
| Molweight | 228.201 |
| MonoisotopicMass | 228.082267 |
| CLogP | 2.0427 |
| CLogS | -3.612 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 173.23 |
| Relative PSA | 0.36691 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | -1.3964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
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