Molecule

ID:2989

General Information
Structure
MolImage
Molecular Formula
C₆H₇O₄P
Molecular Mass
174.091141
Exact Mass
174.00819533
Charge
0
InChI
InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
CMPQUABWPXYYSH-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(Oc1ccccc1)O
Isomeric Smiles
OP(=O)(O)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.09
LogD (pH = 5.5)
-1.36
Log P
1.02
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.79
Polar Surface Area
66.76
Polarizability
14.15
Molar Refractivity
38.91
LOG S
-0.51
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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