Molecule

ID:31395

General Information
Structure
Molecular Formula
C₁₁H₁₁FO₃
Molecular Mass
210.2016432
Exact Mass
210.06922243
Charge
0
InChI
InChI=1S/C11H11FO3/c1-7-6-8(12)2-3-9(7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKey
AVVSAUIZPPNXRX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)c1ccc(cc1C)F
Isomeric Smiles
c1(c(cc(cc1)F)C)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8627195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3702323
LogD (pH = 7.4)
-1.2205731
Log P
2.0118794
Molar Refractivity
52.6117
Polarizability
19.771267
Polar Surface Area
54.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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