Molecule

ID:99208

General Information
Structure
Molecular Formula
C₁₅H₁₈F₆N₂
Molecular Mass
340.3072392
Exact Mass
340.13741791
Charge
0
InChI
InChI=1S/C15H18F6N2/c16-14(17,18)10-7-11(15(19,20)21)9-13(8-10)23-6-4-12-3-1-2-5-22-12/h7-9,12,22-23H,1-6H2
InChIKey
UMLGDRGOZSHCMY-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(NCCC2CCCCN2)cc(c1)C(F)(F)F)(F)F
Isomeric Smiles
N1C(CCNc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5769872
LogD (pH = 7.4)
1.0968581
Log P
3.8074105
Molar Refractivity
77.6012
Polarizability
27.533709
Polar Surface Area
24.06
Rotatable Bonds
6
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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