Molecule

ID:7331

General Information
Structure
Molecular Formula
C₈H₆F₄O
Molecular Mass
194.1262528
Exact Mass
194.03547769
Charge
0
InChI
InChI=1S/C8H6F4O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChIKey
VUSCMOUYRPIURE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(F)(F)F)F
Isomeric Smiles
c1c(c(cc(c1)OC)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.836125
LogD (pH = 7.4)
2.836125
Log P
2.836125
Molar Refractivity
38.7113
Polarizability
13.957719
Polar Surface Area
9.23
Rotatable Bonds
2
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
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References
Bioactivity
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