[(E)-[cyclopropyl-(4-fluorophenyl)methylidene]amino]thiourea
Formula:C11H12N3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[cyclopropyl-(4-fluorophenyl)methylidene]amino]thiourea is a drug-like molecule.
| MolName | [(E)-[cyclopropyl-(4-fluorophenyl)methylidene]amino]thiourea |
| MolecularFormula | C11H12N3FS |
| Smiles | NC(N/N=C(\C1CC1)/c(cc1)ccc1F)=S |
| InChI | InChI=1S/C11H12FN3S/c12-9-5-3-8(4-6-9)10(7-1-2-7)14-15-11(13)16/h3-7H,1-2H2,(H3,13,15,16) |
| InChIK | KICFGTJVBHZBOJ-UHFFFAOYSA-N |
| TotalMolweight | 237.301 |
| Molweight | 237.301 |
| MonoisotopicMass | 237.073595 |
| CLogP | 1.8888 |
| CLogS | -4.088 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 181.79 |
| Relative PSA | 0.36438 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 1.028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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