[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]thiourea
Formula:C15H13N3OI2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | [(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C15H13N3OI2S |
| Smiles | NC(N/N=C\c1cc(I)cc(I)c1OCc1ccccc1)=S |
| InChI | InChI=1S/C15H13I2N3OS/c16-12-6-11(8-19-20-15(18)22)14(13(17)7-12)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,20,22) |
| InChIK | GWADKHKTAFTOKS-UHFFFAOYSA-N |
| TotalMolweight | 537.154 |
| Molweight | 537.154 |
| MonoisotopicMass | 536.886878 |
| CLogP | 3.7543 |
| CLogS | -6.271 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 286.79 |
| Relative PSA | 0.26584 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 2.3566 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]thiourea | 2 - [(Z)-(3,5-diiodo-2-phenylmethoxyphenyl)methylideneamino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off