Molecule

ID:50358

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FNO₂
Molecular Mass
245.2489832
Exact Mass
245.08520685
Charge
0
InChI
InChI=1S/C14H12FNO2/c1-18-12-8-4-7-11(16)13(12)14(17)9-5-2-3-6-10(9)15/h2-8H,16H2,1H3
InChIKey
LFUYWJFUAGHFFH-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1C(=O)c1ccccc1F)N
Isomeric Smiles
C(=O)(c1c(N)cccc1OC)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
19.846472
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2385435
LogD (pH = 7.4)
3.2387016
Log P
3.2387035
Molar Refractivity
68.0135
Polarizability
25.297832
Polar Surface Area
52.32
Rotatable Bonds
3
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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