[(Z)-2,3-dihydroxypropylideneamino]thiourea
Formula:C4H9N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2,3-dihydroxypropylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2,3-dihydroxypropylideneamino]thiourea |
| MolecularFormula | C4H9N3O2S |
| Smiles | NC(N/N=C\C(CO)O)=S |
| InChI | InChI=1S/C4H9N3O2S/c5-4(10)7-6-1-3(9)2-8/h1,3,8-9H,2H2,(H3,5,7,10)/t3-/m1/s1 |
| InChIK | NQJYICBEMAIWEA-GSVOUGTGSA-N |
| TotalMolweight | 163.2 |
| Molweight | 163.2 |
| MonoisotopicMass | 163.041547 |
| CLogP | -1.7168 |
| CLogS | -1.014 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 129.91 |
| Relative PSA | 0.71157 |
| PolarSurfaceArea | 122.96 |
| Druglikeness | 2.1068 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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