Molecule

ID:97497

General Information
Structure
MolImage
Molecular Formula
C₁₀H₃ClF₁₆O₂
Molecular Mass
494.5570712
Exact Mass
493.95660854
Charge
0
InChI
InChI=1S/C10H3ClF16O2/c1-29-2(28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(11,26)27/h1H3
InChIKey
CKAWNZHEMRKCJX-UHFFFAOYSA-N
Canonic Smiles
COC(=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
O(C)C(=O)C(C(F)(C(C(C(C(F)(F)C(F)(F)C(F)(Cl)F)(F)F)(F)F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.1660624
LogD (pH = 7.4)
6.1660624
Log P
6.1660624
Molar Refractivity
55.9338
Polarizability
22.150673
Polar Surface Area
26.3
Rotatable Bonds
9
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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