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Chem Trisphosphonomethylaminen Oxide Dsrpl | Cheminformatics

Tris(phosphonomethyl)amineN-oxide


  • SKU Code: CH141466
Chemical Name - Tris(phosphonomethyl)amineN-oxide
Mol Weight - 315.047
Smiles - [O-][N+](CP(O)(O)=O)(CP(O)(O)=O)CP(O)(O)=O
Property Name Property Value
Mol NameTris(phosphonomethyl)amineN-oxide
Molweight315.047
Monoisotopic Mass314.96741
Clogp-11.867
Clogs3.223
H Acceptors11
H Donors6
Total Surface Area176.36
Relative Psa0.76593
Polar Surface Area219.09
Druglikeness-15.455
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.41176
Molecular Flexibility0.89585
Molecular Complexity0.60279
Fragments1
Non H Atoms17
Non Ch Atoms14
Electronegative Atoms14
Rotatable Bonds6
Sp3 Atoms14
Symmetric Atoms11
Acidic Oxygens7
Smiles[O-][N+](CP(O)(O)=O)(CP(O)(O)=O)CP(O)(O)=O
InChIKeyInChI=1S/C3H12NO10P3/c5-4(1-15(6,7)8,2-16(9,10)11)3-17(12,13)14/h1-3H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)
InChIRJDKJZWFJWJOOI-UHFFFAOYSA-N

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