Molecule

ID:74932

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅O₄P
Molecular Mass
230.197461
Exact Mass
230.07079559
Charge
0
InChI
InChI=1S/C10H15O4P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKey
RKDQFNLPHKSPGL-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(c1ccc(cc1)O)OCC
Isomeric Smiles
P(=O)(c1ccc(cc1)O)(OCC)OCC
Calculated Properties
JChem
Acid pKa
8.367644
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.334213
LogD (pH = 7.4)
2.2904863
Log P
2.3348
Molar Refractivity
57.6891
Polarizability
22.97423
Polar Surface Area
55.76
Rotatable Bonds
5
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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