Molecule

ID:97010

General Information
Structure
Molecular Formula
C₁₁H₁₀F₆O
Molecular Mass
272.1869192
Exact Mass
272.06358426
Charge
0
InChI
InChI=1S/C11H10F6O/c1-6-3-4-8(5-7(6)2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKey
DDLQAOJQQSJPIH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)O
Isomeric Smiles
OC(c1cc(c(cc1)C)C)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
7.468929
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1218314
LogD (pH = 7.4)
3.8589065
Log P
4.126467
Molar Refractivity
53.4163
Polarizability
19.056341
Polar Surface Area
20.23
Rotatable Bonds
3
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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