1-(4-fluorophenyl)-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea
Formula:C14H12N3OFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(4-fluorophenyl)-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C14H12N3OFS |
| Smiles | Oc1cccc(/C=N\NC(Nc(cc2)ccc2F)=S)c1 |
| InChI | InChI=1S/C14H12FN3OS/c15-11-4-6-12(7-5-11)17-14(20)18-16-9-10-2-1-3-13(19)8-10/h1-9,19H,(H2,17,18,20) |
| InChIK | VKFBDNBNJJAAKU-UHFFFAOYSA-N |
| TotalMolweight | 289.333 |
| Molweight | 289.333 |
| MonoisotopicMass | 289.06851 |
| CLogP | 3.3473 |
| CLogS | -4.339 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 226.11 |
| Relative PSA | 0.33404 |
| PolarSurfaceArea | 88.74 |
| Druglikeness | 0.80168 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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