Chemical Name - Diafenthiuron
Mol Weight - 384.586
Smiles - CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(NC(C)(C)C)=S
Mol Weight - 384.586
Smiles - CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(NC(C)(C)C)=S
| Property Value | |
| Mol Name | Diafenthiuron |
| Molweight | 384.586 |
| Monoisotopic Mass | 384.223533 |
| Clogp | 6.4048 |
| Clogs | -7.047 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 319.88 |
| Relative Psa | 0.19045 |
| Polar Surface Area | 65.38 |
| Druglikeness | -2.6385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.51852 |
| Molecular Flexibility | 0.49454 |
| Molecular Complexity | 0.74957 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 12 |
| Symmetric Atoms | 10 |
| Smiles | CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(NC(C)(C)C)=S |
| InChIKey | InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) |
| InChI | WOWBFOBYOAGEEA-UHFFFAOYSA-N |
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1 - Diafenthiuron
2 - Diafenthiuron
1 - Diafenthiuron
2 - Diafenthiuron
| |spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface | Mep | Translucent | Spin | Label On| Off |