Molecule

ID:70190

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)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
InChIKey
WPWUDDDJTIZBGL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1O)F
Isomeric Smiles
C(=O)(c1c(cc(cc1)F)O)OC
Calculated Properties
JChem
Acid pKa
8.714297
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4655967
LogD (pH = 7.4)
2.445475
Log P
2.4658594
Molar Refractivity
40.2806
Polarizability
15.138915
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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