1-benzyl-3-[(Z)-thiophen-2-ylmethylideneamino]urea
Formula:C13H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-3-[(Z)-thiophen-2-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-thiophen-2-ylmethylideneamino]urea |
| MolecularFormula | C13H13N3OS |
| Smiles | O=C(NCc1ccccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H13N3OS/c17-13(14-9-11-5-2-1-3-6-11)16-15-10-12-7-4-8-18-12/h1-8,10H,9H2,(H2,14,16,17) |
| InChIK | LIAGHZIYCNYWHZ-UHFFFAOYSA-N |
| TotalMolweight | 259.332 |
| Molweight | 259.332 |
| MonoisotopicMass | 259.077932 |
| CLogP | 2.7715 |
| CLogS | -4.063 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 208.15 |
| Relative PSA | 0.32587 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | 5.9446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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