Molecule

ID:102213

General Information
Structure
MolImage
Molecular Formula
C₁₀H₃₂N₄O₈P₂
Molecular Mass
398.330602
Exact Mass
398.16953726
Charge
0
InChI
InChI=1S/C10H26N4.2H3O4P/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;2*1-5(2,3)4/h13-14H,1-12H2;2*(H3,1,2,3,4)
InChIKey
GOQWEECJRRZEHR-UHFFFAOYSA-N
Canonic Smiles
[O-]P(=O)(O)O.[O-]P(=O)(O)O.NCCC[NH2+]CCCC[NH2+]CCCN
Isomeric Smiles
NCCC[NH2+]CCCC[NH2+]CCCN.OP(=O)(O)[O-].OP(=O)(O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
4
LogD (pH = 5.5)
-13.23318
LogD (pH = 7.4)
-9.554461
Log P
-1.4540076
Molar Refractivity
85.388
Polarizability
25.141655
Polar Surface Area
85.26
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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