Molecule

ID:98193

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO₂
Molecular Mass
143.1157432
Exact Mass
143.03825666
Charge
0
InChI
InChI=1S/C6H6FNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9)
InChIKey
OJCLMTIPKJDNHG-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(c(c1)O)F
Isomeric Smiles
n1c(cc(c(c1)F)O)OC
Calculated Properties
JChem
Acid pKa
8.989085
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0313578
LogD (pH = 7.4)
1.0207133
Log P
1.0314963
Molar Refractivity
32.8751
Polarizability
12.357835
Polar Surface Area
42.35
Rotatable Bonds
1
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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