1-cyclohexyl-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]urea
Formula:C15H19N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]urea |
| MolecularFormula | C15H19N3O2F2 |
| Smiles | O=C(NC1CCCCC1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C15H19F2N3O2/c16-14(17)22-13-9-5-4-6-11(13)10-18-20-15(21)19-12-7-2-1-3-8-12/h4-6,9-10,12,14H,1-3,7-8H2,(H2,19,20,21) |
| InChIK | MGUYADTYPSJMHK-UHFFFAOYSA-N |
| TotalMolweight | 311.331 |
| Molweight | 311.331 |
| MonoisotopicMass | 311.144533 |
| CLogP | 3.2119 |
| CLogS | -4.926 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.69 |
| Relative PSA | 0.23778 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | -2.8683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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