Molecule

ID:70337

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄N₃O₅P
Molecular Mass
215.144821
Exact Mass
215.06710719
Charge
0
InChI
InChI=1S/C4H11N3O.H3O4P/c1-7(2-3-8)4(5)6;1-5(2,3)4/h8H,2-3H2,1H3,(H3,5,6);(H3,1,2,3,4)
InChIKey
CIRFYLARDGPSMV-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O.OCCN(C(=N)N)C
Isomeric Smiles
N(C(=N)N)(C)CCO.P(=O)(O)(O)O
Calculated Properties
JChem
Acid pKa
15.575842
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.802804
LogD (pH = 7.4)
-3.8019938
Log P
-1.3873556
Molar Refractivity
42.2204
Polarizability
11.758041
Polar Surface Area
73.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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