[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]thiourea
Formula:C11H9N3OI2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C11H9N3OI2S |
| Smiles | C#CCOc(c(/C=N\NC(N)=S)cc(I)c1)c1I |
| InChI | InChI=1S/C11H9I2N3OS/c1-2-3-17-10-7(6-15-16-11(14)18)4-8(12)5-9(10)13/h1,4-6H,3H2,(H3,14,16,18) |
| InChIK | HFDGJPDIDRRVPM-UHFFFAOYSA-N |
| TotalMolweight | 485.078 |
| Molweight | 485.078 |
| MonoisotopicMass | 484.855578 |
| CLogP | 2.3634 |
| CLogS | -5.572 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 250.84 |
| Relative PSA | 0.30394 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 2.3988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]thiourea | 2 - [(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off