Molecule

ID:10312

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FO₃
Molecular Mass
210.2016432
Exact Mass
210.06922243
Charge
0
InChI
InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
InChIKey
ZBQROUOOMAMCQW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)F)CCCC(=O)O
Isomeric Smiles
c1c(ccc(c1)C(=O)CCCC(=O)O)F
Calculated Properties
JChem
Acid pKa
3.824767
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2647484
LogD (pH = 7.4)
-1.3078065
Log P
1.9430267
Molar Refractivity
52.1715
Polarizability
19.842382
Polar Surface Area
54.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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