N'-diphenoxyphosphoryl-N-phenylbenzenecarboximidamide
Formula:C25H21N2O3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-diphenoxyphosphoryl-N-phenylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-diphenoxyphosphoryl-N-phenylbenzenecarboximidamide |
| MolecularFormula | C25H21N2O3P |
| Smiles | O=P(/N=C(\c1ccccc1)/Nc1ccccc1)(Oc1ccccc1)Oc1ccccc1 |
| InChI | InChI=1S/C25H21N2O3P/c28-31(29-23-17-9-3-10-18-23,30-24-19-11-4-12-20-24)27-25(21-13-5-1-6-14-21)26-22-15-7-2-8-16-22/h1-20H,(H,26,27,28) |
| InChIK | PVKMIJRWLNIQDY-UHFFFAOYSA-N |
| TotalMolweight | 428.427 |
| Molweight | 428.427 |
| MonoisotopicMass | 428.12898 |
| CLogP | 5.7565 |
| CLogS | -6.376 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 330.74 |
| Relative PSA | 0.18138 |
| PolarSurfaceArea | 69.73 |
| Druglikeness | -17.154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 13 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-diphenoxyphosphoryl-N-phenylbenzenecarboximidamide | 2 - N'-diphenoxyphosphoryl-N-phenylbenzenecarboximidamide
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