Molecule

ID:42869

General Information
Structure
Molecular Formula
C₁₂H₁₁FIN
Molecular Mass
315.1253132
Exact Mass
314.99202558
Charge
0
InChI
InChI=1S/C12H11FIN/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13/h3-7H,1-2H3
InChIKey
WGVPUAKFQLQUKW-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)F)n1c(C)ccc1C
Isomeric Smiles
n1(c2c(cc(cc2)I)F)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7209
LogD (pH = 7.4)
3.7209
Log P
3.7209
Molar Refractivity
79.6887
Polarizability
26.581774
Polar Surface Area
4.93
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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