Molecule

ID:93284

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₆O
Molecular Mass
258.1603392
Exact Mass
258.0479342
Charge
0
InChI
InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1
InChIKey
MMSCIQKQJVBPIR-RXMQYKEDSA-N
Canonic Smiles
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Isomeric Smiles
FC(c1cc(cc(c1)[C@@H](C)O)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.624308
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.378168
LogD (pH = 7.4)
3.378168
Log P
3.378168
Molar Refractivity
49.2401
Polarizability
17.407524
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation