N'-bis(4-chlorophenoxy)phosphoryl-N-phenylbenzenecarboximidamide
Formula:C25H19N2O3Cl2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-bis(4-chlorophenoxy)phosphoryl-N-phenylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-bis(4-chlorophenoxy)phosphoryl-N-phenylbenzenecarboximidamide |
| MolecularFormula | C25H19N2O3Cl2P |
| Smiles | O=P(/N=C(\c1ccccc1)/Nc1ccccc1)(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C25H19Cl2N2O3P/c26-20-11-15-23(16-12-20)31-33(30,32-24-17-13-21(27)14-18-24)29-25(19-7-3-1-4-8-19)28-22-9-5-2-6-10-22/h1-18H,(H,28,29,30) |
| InChIK | RQORWOIMXSIAAM-UHFFFAOYSA-N |
| TotalMolweight | 497.317 |
| Molweight | 497.317 |
| MonoisotopicMass | 496.051034 |
| CLogP | 6.9685 |
| CLogS | -7.848 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 361.58 |
| Relative PSA | 0.16591 |
| PolarSurfaceArea | 69.73 |
| Druglikeness | -17.073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 14 |
| BasicNitrogens | 1 |
| StereoCon |
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