Molecule

ID:10010

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₃
Molecular Mass
156.1112032
Exact Mass
156.02227224
Charge
0
InChI
InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey
TTZOLDXHOCCNMF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)O)C(=O)O
Isomeric Smiles
c1c(cc(c(c1)C(=O)O)O)F
Calculated Properties
JChem
Acid pKa
2.9311192
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.40495706
LogD (pH = 7.4)
-1.3622726
Log P
2.1199653
Molar Refractivity
35.5115
Polarizability
13.102475
Polar Surface Area
57.53
Rotatable Bonds
1
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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