Molecule

ID:47726

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂
Molecular Mass
222.3017632
Exact Mass
222.15322684
Charge
0
InChI
InChI=1S/C13H19FN2/c1-16(11-5-3-2-4-6-11)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6,15H2,1H3
InChIKey
RWARXLKXEZLMDQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N(C1CCCCC1)C
Isomeric Smiles
c1(N(C2CCCCC2)C)c(cc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1321828
LogD (pH = 7.4)
3.1934958
Log P
3.1943362
Molar Refractivity
66.4176
Polarizability
24.419827
Polar Surface Area
29.26
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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