Molecule
ID:74989
General Information
Molecular Formula
C₉H₁₁O₄P
Molecular Mass
214.155001
Exact Mass
214.03949546
Charge
0
InChI
InChI=1S/C9H11O4P/c1-12-14(11,13-2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
TWNVJLOWMINFMB-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(C(=O)c1ccccc1)OC
Isomeric Smiles
P(=O)(OC)(OC)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4703065
LogD (pH = 7.4)
1.4703065
Log P
1.4703065
Molar Refractivity
51.8537
Polarizability
20.62729
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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