1-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
Formula:C19H20N2OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea is a drug-like molecule.
| MolName | 1-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea |
| MolecularFormula | C19H20N2OBr2S |
| Smiles | Oc(c(/C=C/NC(NC1C(C2)C3C=CCC3C2C1)=S)cc(Br)c1)c1Br |
| InChI | InChI=1S/C19H20Br2N2OS/c20-12-6-10(18(24)16(21)9-12)4-5-22-19(25)23-17-8-11-7-15(17)14-3-1-2-13(11)14/h1,3-6,9,11,13-15,17,24H,2,7-8H2,(H2,22,23,25) |
| InChIK | VPOJWIBWEJWBKC-UHFFFAOYSA-N |
| TotalMolweight | 484.255 |
| Molweight | 484.255 |
| MonoisotopicMass | 481.966305 |
| CLogP | 4.3868 |
| CLogS | -6.266 |
| H Acceptors | 3 |
| H Donors | 3 |
| TotalSurfaceArea | 288.78 |
| Relative PSA | 0.22169 |
| PolarSurfaceArea | 76.38 |
| Druglikeness | -2.4896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea | 2 - 1-[(E)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-(8-tricyclo[5.2.1.02,6]dec-4-enyl)thiourea
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