Molecule

ID:95039

General Information
Structure
Molecular Formula
C₈HClF₁₆
Molecular Mass
436.5209912
Exact Mass
435.95112923
Charge
0
InChI
InChI=1S/C8HClF16/c9-8(24,25)7(22,23)6(20,21)5(18,19)4(16,17)3(14,15)2(12,13)1(10)11/h1H
InChIKey
GGRHPDUABIVHSS-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.0035
LogD (pH = 7.4)
6.0035
Log P
6.0035
Molar Refractivity
44.8223
Polarizability
17.833403
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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