Molecule

ID:8231

General Information
Structure
Molecular Formula
C₇HClF₁₂O
Molecular Mass
364.5160784
Exact Mass
363.95243097
Charge
0
InChI
InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H
InChIKey
SQQWEKUYKNKPOG-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.786774
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4567657
LogD (pH = 7.4)
4.4567657
Log P
4.4567657
Molar Refractivity
39.9627
Polarizability
15.922152
Polar Surface Area
17.07
Rotatable Bonds
6
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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