Molecule
ID:69390
General Information
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChIKey
WYSPMXSNCAFCFV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1F)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)O)F)OC
Calculated Properties
JChem
Acid pKa
7.689289
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8130805
LogD (pH = 7.4)
1.6374669
Log P
1.8158594
Molar Refractivity
40.2806
Polarizability
15.13825
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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