Molecule

ID:1667

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₃O₅P
Molecular Mass
235.134461
Exact Mass
235.03580707
Charge
0
InChI
InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1
InChIKey
VOHVXLVXSYAFOA-YFKPBYRVSA-N
Canonic Smiles
OC(=O)[C@H](Cc1cncn1P(=O)(O)O)N
Isomeric Smiles
N[C@@H](Cc1cncn1P(=O)(O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-8.16
LogD (pH = 5.5)
-6.86
Log P
-5.80
Rotatable Bonds
4
H Donor
4
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
0.34
Polar Surface Area
138.67
Polarizability
19.17
Molar Refractivity
49.05
LOG S
1.38
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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