Molecule

ID:92116

General Information
Structure
MolImage
Molecular Formula
C₆H₁₈N₃O₆P₃
Molecular Mass
321.144903
Exact Mass
321.0408452
Charge
0
InChI
InChI=1S/C6H18N3O6P3/c1-10-16(11-2)7-17(12-3,13-4)9-18(8-16,14-5)15-6/h1-6H3
InChIKey
CNQBXJDCTHCEFG-UHFFFAOYSA-N
Canonic Smiles
COP1(=NP(=NP(=N1)(OC)OC)(OC)OC)OC
Isomeric Smiles
N1=P(N=P(N=P1(OC)OC)(OC)OC)(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.15402053
LogD (pH = 7.4)
-0.15391189
Log P
-0.1539105
Molar Refractivity
72.9696
Polarizability
27.429985
Polar Surface Area
92.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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