Molecule

ID:127456

General Information
Structure
MolImage
Molecular Formula
C₆H₇FO₇
Molecular Mass
210.1139832
Exact Mass
210.01758078
Charge
0
InChI
InChI=1S/C6H7FO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
DGXLYHAWEBCTRU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(C(C(=O)O)F)(C(=O)O)O
Isomeric Smiles
O=C(O)C(O)(CC(=O)O)C(F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9825506
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-5.081941
LogD (pH = 7.4)
-9.571689
Log P
-1.1467541
Molar Refractivity
35.27
Polarizability
14.4601755
Polar Surface Area
132.13
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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