1-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-fluorophenyl)thiourea
Formula:C22H16N3FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-fluorophenyl)thiourea is not a drug-like molecule.
| MolName | 1-[(Z)-anthracen-9-ylmethylideneamino]-3-(4-fluorophenyl)thiourea |
| MolecularFormula | C22H16N3FS |
| Smiles | Fc(cc1)ccc1NC(N/N=C\c1c(cccc2)c2cc2ccccc12)=S |
| InChI | InChI=1S/C22H16FN3S/c23-17-9-11-18(12-10-17)25-22(27)26-24-14-21-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)21/h1-14H,(H2,25,26,27) |
| InChIK | WXMHOZLSOVQAIM-UHFFFAOYSA-N |
| TotalMolweight | 373.454 |
| Molweight | 373.454 |
| MonoisotopicMass | 373.104895 |
| CLogP | 6.0818 |
| CLogS | -7.847 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 288.96 |
| Relative PSA | 0.21605 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 0.8925 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| StereoCon |
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