Molecule

ID:74895

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂NO₇P
Molecular Mass
299.257941
Exact Mass
299.11338868
Charge
0
InChI
InChI=1S/C8H20NO3P.C2H2O4/c1-3-11-13(10,12-4-2)8-6-5-7-9;3-1(4)2(5)6/h3-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
YRLZCLQUARLFRX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCCCCP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)CCCCN.OC(=O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8355632
LogD (pH = 7.4)
-2.2987115
Log P
0.3634618
Molar Refractivity
53.2234
Polarizability
21.690132
Polar Surface Area
61.55
Rotatable Bonds
9
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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