[(Z)-3-phenylpropylideneamino]thiourea
Formula:C10H13N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-3-phenylpropylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-3-phenylpropylideneamino]thiourea |
| MolecularFormula | C10H13N3S |
| Smiles | NC(N/N=C\CCc1ccccc1)=S |
| InChI | InChI=1S/C10H13N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H3,11,13,14) |
| InChIK | PWBORPXUUJFWAE-UHFFFAOYSA-N |
| TotalMolweight | 207.3 |
| Molweight | 207.3 |
| MonoisotopicMass | 207.083017 |
| CLogP | 1.6736 |
| CLogS | -3.055 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 178.23 |
| Relative PSA | 0.37165 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 1.075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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