1-(4-fluorophenyl)-3-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
Formula:C21H18N3OFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(4-fluorophenyl)-3-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-3-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C21H18N3OFS |
| Smiles | Fc(cc1)ccc1NC(N/N=C\c(cccc1)c1OCc1ccccc1)=S |
| InChI | InChI=1S/C21H18FN3OS/c22-18-10-12-19(13-11-18)24-21(27)25-23-14-17-8-4-5-9-20(17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H2,24,25,27) |
| InChIK | LRVCPNNHPYEFBG-UHFFFAOYSA-N |
| TotalMolweight | 379.458 |
| Molweight | 379.458 |
| MonoisotopicMass | 379.11546 |
| CLogP | 5.0411 |
| CLogS | -5.976 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 303.28 |
| Relative PSA | 0.23882 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | 0.46209 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 1-(4-fluorophenyl)-3-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]thiourea | 2 - 1-(4-fluorophenyl)-3-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
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