Molecule

ID:38195

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO
Molecular Mass
179.1909032
Exact Mass
179.07464217
Charge
0
InChI
InChI=1S/C10H10FNO/c1-6-8-4-7(11)2-3-9(8)12-10(6)5-13/h2-4,12-13H,5H2,1H3
InChIKey
YLRLBPLIQUGFEP-UHFFFAOYSA-N
Canonic Smiles
OCc1[nH]c2c(c1C)cc(cc2)F
Isomeric Smiles
c1(ccc2c(c1)c(c([nH]2)CO)C)F
Calculated Properties
JChem
Acid pKa
14.793438
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.8807825
LogD (pH = 7.4)
1.8807825
Log P
1.8807825
Molar Refractivity
49.0955
Polarizability
19.396305
Polar Surface Area
36.02
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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