[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]thiourea
Formula:C11H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C11H11N3OS |
| Smiles | C#CCOc1cccc(/C=N\NC(N)=S)c1 |
| InChI | InChI=1S/C11H11N3OS/c1-2-6-15-10-5-3-4-9(7-10)8-13-14-11(12)16/h1,3-5,7-8H,6H2,(H3,12,14,16) |
| InChIK | GKXJEKPMQRVVQF-UHFFFAOYSA-N |
| TotalMolweight | 233.294 |
| Molweight | 233.294 |
| MonoisotopicMass | 233.062282 |
| CLogP | 1.4892 |
| CLogS | -3.54 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 198.28 |
| Relative PSA | 0.38451 |
| PolarSurfaceArea | 91.73 |
| Druglikeness | 1.8479 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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