Molecule

ID:99355

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₅O
Molecular Mass
210.100836
Exact Mass
210.01040582
Charge
0
InChI
InChI=1S/C8H3F5O/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-3H
InChIKey
RQXOWNQOFWLPSV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
O=Cc1c(c(c(cc1)C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8490005
LogD (pH = 7.4)
2.8490005
Log P
2.8490005
Molar Refractivity
39.0485
Polarizability
13.360156
Polar Surface Area
17.07
Rotatable Bonds
2
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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