Molecule

ID:93367

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FO
Molecular Mass
202.2242432
Exact Mass
202.07939319
Charge
0
InChI
InChI=1S/C13H11FO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H/t13-/m0/s1
InChIKey
HFVMEOPYDLEHBR-ZDUSSCGKSA-N
Canonic Smiles
Fc1ccccc1[C@H](c1ccccc1)O
Isomeric Smiles
O[C@H](c1ccccc1F)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.400259
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1328382
LogD (pH = 7.4)
3.1328378
Log P
3.1328382
Molar Refractivity
57.3731
Polarizability
22.01835
Polar Surface Area
20.23
Rotatable Bonds
2
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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