Molecule

ID:7491

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H7FO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey
YRFBZAHYMOSSGX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(c(c1)F)O
Isomeric Smiles
c1c(c(cc(c1)CC(=O)O)F)O
Calculated Properties
JChem
Acid pKa
3.4507296
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.5893742
LogD (pH = 7.4)
-1.9788885
Log P
1.4501307
Molar Refractivity
39.5629
Polarizability
14.929702
Polar Surface Area
57.53
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
References
Bioactivity
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