Molecule

ID:83029

General Information
Structure
Molecular Formula
C₈H₁₁O₄P
Molecular Mass
202.144301
Exact Mass
202.03949546
Charge
0
InChI
InChI=1S/C8H11O4P/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKey
ORUZLAKPEKBACC-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)P(=O)(O)O
Isomeric Smiles
P(=O)(c1ccc(cc1)OCC)(O)O
Calculated Properties
JChem
Acid pKa
1.7466935
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6940532
LogD (pH = 7.4)
-2.2059538
Log P
0.5682
Molar Refractivity
48.4582
Polarizability
18.911793
Polar Surface Area
66.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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