Molecule

ID:93306

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m1/s1
InChIKey
YESOPGLEIJQAEF-ZCFIWIBFSA-N
Canonic Smiles
Fc1cccc(c1)[C@H](O)C
Isomeric Smiles
Fc1cc(ccc1)[C@@H](C)O
Calculated Properties
JChem
Acid pKa
14.671869
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.765173
LogD (pH = 7.4)
1.765173
Log P
1.765173
Molar Refractivity
37.5091
Polarizability
14.28818
Polar Surface Area
20.23
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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