Molecule

ID:11984

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₆O
Molecular Mass
270.1710392
Exact Mass
270.0479342
Charge
0
InChI
InChI=1S/C11H8F6O/c1-2-7-3-5-8(6-4-7)9(18,10(12,13)14)11(15,16)17/h2-6,18H,1H2
InChIKey
RHDPTOIUYREFCO-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
Isomeric Smiles
c1c(ccc(c1)C(C(F)(F)F)(C(F)(F)F)O)C=C
Calculated Properties
JChem
Acid pKa
7.423181
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.831179
LogD (pH = 7.4)
3.5471444
Log P
3.8363264
Molar Refractivity
53.0202
Polarizability
18.982979
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
References
Bioactivity
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