[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
Formula:C12H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C12H17N3O2S |
| Smiles | CCCOc(ccc(/C=N\NC(N)=S)c1)c1OC |
| InChI | InChI=1S/C12H17N3O2S/c1-3-6-17-10-5-4-9(7-11(10)16-2)8-14-15-12(13)18/h4-5,7-8H,3,6H2,1-2H3,(H3,13,15,18) |
| InChIK | XBQWIIUSLPNUNX-UHFFFAOYSA-N |
| TotalMolweight | 267.352 |
| Molweight | 267.352 |
| MonoisotopicMass | 267.104147 |
| CLogP | 2.2527 |
| CLogS | -3.504 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 222.75 |
| Relative PSA | 0.38716 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | 1.623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| StereoCon |
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