2-(2,4-dichlorophenoxy)-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
Formula:C24H20N2O2Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is not a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone |
| MolecularFormula | C24H20N2O2Cl2S2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N(C(C1CCC2)c3cccs3)N=C1/C2=C\c1cccs1 |
| InChI | InChI=1S/C24H20Cl2N2O2S2/c25-16-8-9-20(19(26)13-16)30-14-22(29)28-24(21-7-3-11-32-21)18-6-1-4-15(23(18)27-28)12-17-5-2-10-31-17/h2-3,5,7-13,18,24H,1,4,6,14H2 |
| InChIK | RVRMKQQRJHFQDH-UHFFFAOYSA-N |
| TotalMolweight | 503.473 |
| Molweight | 503.473 |
| MonoisotopicMass | 502.034322 |
| CLogP | 6.3766 |
| CLogS | -6.844 |
| H Acceptors | 4 |
| TotalSurfaceArea | 354.27 |
| Relative PSA | 0.22249 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 2.1723 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(2,4-dichlorophenoxy)-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-(2,4-dichlorophenoxy)-1-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off