(5E)-5-benzylidene-1-diphenylphosphoryl-2H-tetrazole
Formula:C20H17N4OP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-benzylidene-1-diphenylphosphoryl-2H-tetrazole is a drug-like molecule.
| MolName | (5E)-5-benzylidene-1-diphenylphosphoryl-2H-tetrazole |
| MolecularFormula | C20H17N4OP |
| Smiles | O=P(c1ccccc1)(c1ccccc1)N1NN=N/C1=C\c1ccccc1 |
| InChI | InChI=1S/C20H17N4OP/c25-26(18-12-6-2-7-13-18,19-14-8-3-9-15-19)24-20(21-22-23-24)16-17-10-4-1-5-11-17/h1-16H,(H,21,23) |
| InChIK | UIPSWFDAZQJJBJ-UHFFFAOYSA-N |
| TotalMolweight | 360.356 |
| Molweight | 360.356 |
| MonoisotopicMass | 360.113998 |
| CLogP | 4.9858 |
| CLogS | -6.476 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 272.54 |
| Relative PSA | 0.20199 |
| PolarSurfaceArea | 66.87 |
| Druglikeness | -17.264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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