(5E)-5-[(4-chlorophenyl)methylidene]-1-diphenylphosphoryl-2H-tetrazole
Formula:C20H16N4OClP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-chlorophenyl)methylidene]-1-diphenylphosphoryl-2H-tetrazole is not a drug-like molecule.
| MolName | (5E)-5-[(4-chlorophenyl)methylidene]-1-diphenylphosphoryl-2H-tetrazole |
| MolecularFormula | C20H16N4OClP |
| Smiles | O=P(c1ccccc1)(c1ccccc1)N1NN=N/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H16ClN4OP/c21-17-13-11-16(12-14-17)15-20-22-23-24-25(20)27(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,(H,22,24) |
| InChIK | JCMDJAYOOCOWHW-UHFFFAOYSA-N |
| TotalMolweight | 394.801 |
| Molweight | 394.801 |
| MonoisotopicMass | 394.075025 |
| CLogP | 5.5918 |
| CLogS | -7.212 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.96 |
| Relative PSA | 0.19117 |
| PolarSurfaceArea | 66.87 |
| Druglikeness | -17.215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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