Molecule

ID:131021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₆O₇P
Molecular Mass
364.251741
Exact Mass
364.08963354
Charge
0
InChI
InChI=1S/C10H14N5O7P.H3N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H3
InChIKey
AZNKZKHDGUOJLW-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O.N
Isomeric Smiles
c1nc(c2c(n1)n(cn2)C1C(C(C(O1)COP(=O)(O)O)O)O)N.N
Calculated Properties
JChem
Acid pKa
1.2246279
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
-4.751471
LogD (pH = 7.4)
-5.7464666
Log P
-5.1917515
Molar Refractivity
74.0685
Polarizability
29.089455
Polar Surface Area
186.07
Rotatable Bonds
4
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
References
Bioactivity
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