4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dimethylimidazole-2-thione
Formula:C14H12N3OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dimethylimidazole-2-thione is a drug-like molecule.
| MolName | 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dimethylimidazole-2-thione |
| MolecularFormula | C14H12N3OBrS |
| Smiles | CN(C(C=C1c(cc(cc2)Br)c2N=C1)=C(N1C)O)C1=S |
| InChI | InChI=1S/C14H12BrN3OS/c1-17-12(13(19)18(2)14(17)20)5-8-7-16-11-4-3-9(15)6-10(8)11/h3-7,19H,1-2H3 |
| InChIK | COHSKFZSBSOBSJ-UHFFFAOYSA-N |
| TotalMolweight | 350.239 |
| Molweight | 350.239 |
| MonoisotopicMass | 348.988443 |
| CLogP | 2.6114 |
| CLogS | -4.002 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.46 |
| Relative PSA | 0.26962 |
| PolarSurfaceArea | 71.16 |
| Druglikeness | 1.0965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dimethylimidazole-2-thione | 2 - 4-[(5-bromoindol-3-ylidene)methyl]-5-hydroxy-1,3-dimethylimidazole-2-thione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off