1-cyclohexyl-3-[(Z)-(3-fluorophenyl)methylideneamino]urea
Formula:C14H18N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-(3-fluorophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(3-fluorophenyl)methylideneamino]urea |
| MolecularFormula | C14H18N3OF |
| Smiles | O=C(NC1CCCCC1)N/N=C\c1cccc(F)c1 |
| InChI | InChI=1S/C14H18FN3O/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H2,17,18,19) |
| InChIK | BSXQPEKUHKTOKI-UHFFFAOYSA-N |
| TotalMolweight | 263.315 |
| Molweight | 263.315 |
| MonoisotopicMass | 263.14339 |
| CLogP | 3.1433 |
| CLogS | -4.618 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 212.84 |
| Relative PSA | 0.22303 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -1.3417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-cyclohexyl-3-[(Z)-(3-fluorophenyl)methylideneamino]urea | 2 - 1-cyclohexyl-3-[(Z)-(3-fluorophenyl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off