Molecule

ID:52882

General Information
Structure
Molecular Formula
C₇H₁₃F₂N
Molecular Mass
149.1816264
Exact Mass
149.10160586
Charge
0
InChI
InChI=1S/C7H13F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-5,10H2
InChIKey
XAAFYIOYLLPWMM-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(CC1)(F)F
Isomeric Smiles
NCC1CCC(CC1)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0486047
LogD (pH = 7.4)
-1.6375676
Log P
0.9756806
Molar Refractivity
36.2596
Polarizability
13.897767
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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