Molecule

ID:8297

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H7FO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,1H3
InChIKey
ZSIIFQFGYNHHOP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(O)cccc1F
Isomeric Smiles
c1ccc(c(c1F)C(=O)OC)O
Calculated Properties
JChem
Acid pKa
8.926137
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.465698
LogD (pH = 7.4)
2.453225
Log P
2.4658594
Molar Refractivity
40.2806
Polarizability
15.140802
Polar Surface Area
46.53
Rotatable Bonds
2
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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