Molecule

ID:95035

General Information
Structure
Molecular Formula
C₁₂H₁₀FN
Molecular Mass
187.2129032
Exact Mass
187.07972755
Charge
0
InChI
InChI=1S/C12H10FN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChIKey
YALRBUHWXPELQP-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Nc1ccccc1
Isomeric Smiles
N(c1cc(ccc1)F)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.664907
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5558722
LogD (pH = 7.4)
3.5558734
Log P
3.5558736
Molar Refractivity
54.7606
Polarizability
20.710281
Polar Surface Area
12.03
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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