Molecule

ID:19448

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₂N
Molecular Mass
211.2510064
Exact Mass
211.11725593
Charge
0
InChI
InChI=1S/C12H15F2N/c13-10-6-5-9(8-11(10)14)12-4-2-1-3-7-15-12/h5-6,8,12,15H,1-4,7H2
InChIKey
JGVUNRUXHFNXHC-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1F)C1CCCCCN1
Isomeric Smiles
c1(cc(c(cc1)F)F)C1NCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.012445441
LogD (pH = 7.4)
1.0178559
Log P
3.1717005
Molar Refractivity
56.152
Polarizability
21.495346
Polar Surface Area
12.03
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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