1-[(Z)-furan-2-ylmethylideneamino]-3-(2-phenylethyl)thiourea
Formula:C14H15N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-furan-2-ylmethylideneamino]-3-(2-phenylethyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-furan-2-ylmethylideneamino]-3-(2-phenylethyl)thiourea |
| MolecularFormula | C14H15N3OS |
| Smiles | S=C(NCCc1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C14H15N3OS/c19-14(17-16-11-13-7-4-10-18-13)15-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H2,15,17,19) |
| InChIK | FDDHDOKWSNAJFV-UHFFFAOYSA-N |
| TotalMolweight | 273.359 |
| Molweight | 273.359 |
| MonoisotopicMass | 273.093582 |
| CLogP | 2.9204 |
| CLogS | -3.931 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 230.62 |
| Relative PSA | 0.33189 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | 2.8114 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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