1-cyclohexyl-3-[(Z)-(2-fluorophenyl)methylideneamino]thiourea
Formula:C14H18N3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-cyclohexyl-3-[(Z)-(2-fluorophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-(2-fluorophenyl)methylideneamino]thiourea |
| MolecularFormula | C14H18N3FS |
| Smiles | Fc1c(/C=N\NC(NC2CCCCC2)=S)cccc1 |
| InChI | InChI=1S/C14H18FN3S/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h4-6,9-10,12H,1-3,7-8H2,(H2,17,18,19) |
| InChIK | YACGLTZRJQIHQW-UHFFFAOYSA-N |
| TotalMolweight | 279.382 |
| Molweight | 279.382 |
| MonoisotopicMass | 279.120545 |
| CLogP | 3.54 |
| CLogS | -4.702 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 227.8 |
| Relative PSA | 0.27406 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -3.9707 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| 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 | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 1-cyclohexyl-3-[(Z)-(2-fluorophenyl)methylideneamino]thiourea | 2 - 1-cyclohexyl-3-[(Z)-(2-fluorophenyl)methylideneamino]thiourea
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