Molecule

ID:112994

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO
Molecular Mass
191.2016032
Exact Mass
191.07464217
Charge
0
InChI
InChI=1S/C11H10FNO/c12-10-5-1-2-6-11(10)13-7-3-4-9(13)8-14/h1-7,14H,8H2
InChIKey
SPJRIBCINFXUBI-UHFFFAOYSA-N
Canonic Smiles
OCc1cccn1c1ccccc1F
Isomeric Smiles
n1(c2c(F)cccc2)c(ccc1)CO
Calculated Properties
JChem
Acid pKa
14.700308
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6302
LogD (pH = 7.4)
1.6302
Log P
1.6302
Molar Refractivity
62.7202
Polarizability
20.41813
Polar Surface Area
25.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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