Molecule

ID:75014

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃O₂P
Molecular Mass
244.225581
Exact Mass
244.06531629
Charge
0
InChI
InChI=1S/C14H13O2P/c15-14(16)11-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKey
GJOGRUGECVQJBK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CP(c1ccccc1)c1ccccc1
Isomeric Smiles
P(c1ccccc1)(c1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.810289
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1966934
LogD (pH = 7.4)
0.40971556
Log P
2.9667
Molar Refractivity
67.9299
Polarizability
26.83221
Polar Surface Area
37.3
Rotatable Bonds
4
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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