Molecule

ID:124530

General Information
Structure
Molecular Formula
C₁₂H₁₀FNO
Molecular Mass
203.2123032
Exact Mass
203.07464217
Charge
0
InChI
InChI=1S/C12H10FNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
InChIKey
KXRCTKTUQDTGQN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c1CCCC(=O)c1[nH]2
Isomeric Smiles
c12[nH]c3c(c1CCCC2=O)cc(cc3)F
Calculated Properties
JChem
Acid pKa
12.428242
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4425898
LogD (pH = 7.4)
2.4425862
Log P
2.4425898
Molar Refractivity
55.5071
Polarizability
21.872427
Polar Surface Area
32.86
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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