Molecule

ID:100877

General Information
Structure
MolImage
Molecular Formula
C₉Cl₂F₁₆O
Molecular Mass
498.9761512
Exact Mass
497.9070715
Charge
0
InChI
InChI=1S/C9Cl2F16O/c10-1(28)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(11,26)27
InChIKey
LPBOLJCVHPGHSK-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(C(C(C(C(C(C(C(Cl)(F)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(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.5534983
LogD (pH = 7.4)
6.5534983
Log P
6.5534983
Molar Refractivity
55.0232
Polarizability
21.70331
Polar Surface Area
17.07
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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