Molecule

ID:18677

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅FN₂
Molecular Mass
194.2486032
Exact Mass
194.12192671
Charge
0
InChI
InChI=1S/C11H15FN2/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKey
CCSBEAVDBGCSOQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)c(cc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1984258
LogD (pH = 7.4)
2.2448072
Log P
2.245432
Molar Refractivity
57.5454
Polarizability
20.74169
Polar Surface Area
29.26
Rotatable Bonds
1
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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