Molecule

ID:102756

General Information
Structure
MolImage
Molecular Formula
C₁₄H₄₇N₆O₁₂P₃
Molecular Mass
584.477263
Exact Mass
584.24648086
Charge
0
InChI
InChI=1S/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)
InChIKey
RQFVSMCFDFGRDX-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.NCCCNCCCCN.NCCCNCCCCN
Isomeric Smiles
NCCCCNCCCN.NCCCCNCCCN.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-10.062785
LogD (pH = 7.4)
-7.799325
Log P
-1.1495639
Molar Refractivity
44.9684
Polarizability
18.22489
Polar Surface Area
64.07
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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