Molecule

ID:102160

General Information
Structure
MolImage
Molecular Formula
C₇H₇O₆P
Molecular Mass
218.100641
Exact Mass
217.99802457
Charge
0
InChI
InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChIKey
FFKUDWZICMJVPA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1OP(=O)(O)O
Isomeric Smiles
OC(=O)c1c(OP(=O)(O)O)cccc1
Calculated Properties
JChem
Acid pKa
1.7294158
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.720247
LogD (pH = 7.4)
-5.74731
Log P
0.67339826
Molar Refractivity
46.168
Polarizability
17.818518
Polar Surface Area
104.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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