Molecule

ID:34389

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂FN
Molecular Mass
189.2287832
Exact Mass
189.09537761
Charge
0
InChI
InChI=1S/C12H12FN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2
InChIKey
HSQOAURZPIFPOL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c1CCCCc1[nH]2
Isomeric Smiles
c1(ccc2c(c1)c1c([nH]2)CCCC1)F
Calculated Properties
JChem
Acid pKa
17.321276
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.4310577
LogD (pH = 7.4)
3.4310577
Log P
3.4310577
Molar Refractivity
54.8746
Polarizability
21.666454
Polar Surface Area
15.79
Rotatable Bonds
0
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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