Molecule

ID:94093

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀F₄N₂
Molecular Mass
256.2835128
Exact Mass
256.15626153
Charge
0
InChI
InChI=1S/C11H20F4N2/c1-5-16(6-2)10(17(7-3)8-4)9(12)11(13,14)15/h5-8H2,1-4H3
InChIKey
SLOPXEYTPNAGPI-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=C(C(F)(F)F)F)N(CC)CC)CC
Isomeric Smiles
FC(=C(N(CC)CC)N(CC)CC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.102507
LogD (pH = 7.4)
3.1050546
Log P
3.105087
Molar Refractivity
72.4138
Polarizability
22.124117
Polar Surface Area
6.48
Rotatable Bonds
7
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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