2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole
Formula:C21H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole |
| MolecularFormula | C21H13N3OS |
| Smiles | c(cc1)ccc1-c(c1ccccc11)nnc1Sc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C21H13N3OS/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20(24-23-19)26-21-22-17-12-6-7-13-18(17)25-21/h1-13H |
| InChIK | RQERQSSVQBLOMB-UHFFFAOYSA-N |
| TotalMolweight | 355.42 |
| Molweight | 355.42 |
| MonoisotopicMass | 355.077932 |
| CLogP | 4.9468 |
| CLogS | -5.917 |
| H Acceptors | 4 |
| TotalSurfaceArea | 265.44 |
| Relative PSA | 0.24303 |
| PolarSurfaceArea | 77.11 |
| Druglikeness | -0.55821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole | 2 - 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzoxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off