Molecule

ID:40290

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FO₂
Molecular Mass
184.2074232
Exact Mass
184.08995788
Charge
0
InChI
InChI=1S/C10H13FO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,12H,1,6-8H2
InChIKey
RXLWPIJNZZKLAX-UHFFFAOYSA-N
Canonic Smiles
FCCCOc1ccc(cc1)CO
Isomeric Smiles
c1(ccc(cc1)CO)OCCCF
Calculated Properties
JChem
Acid pKa
15.021529
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3091743
LogD (pH = 7.4)
1.3091743
Log P
1.3091743
Molar Refractivity
48.8027
Polarizability
18.690609
Polar Surface Area
29.46
Rotatable Bonds
5
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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