1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea
Formula:C12H11N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea is a drug-like molecule.
| MolName | 1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea |
| MolecularFormula | C12H11N3OS |
| Smiles | S=C(Nc1ccccc1)N/N=C/c1ccco1 |
| InChI | InChI=1S/C12H11N3OS/c17-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11/h1-9H,(H2,14,15,17) |
| InChIK | VEVZWLDVAFRIQA-UHFFFAOYSA-N |
| TotalMolweight | 245.305 |
| Molweight | 245.305 |
| MonoisotopicMass | 245.062282 |
| CLogP | 2.7809 |
| CLogS | -4.003 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 203.1 |
| Relative PSA | 0.37686 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | 2.152 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea | 2 - 1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off