Molecule

ID:15289

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₇O₂
Molecular Mass
276.1077424
Exact Mass
276.00212688
Charge
0
InChI
InChI=1S/C9H3F7O2/c10-5-2(1-3(17)18)6(11)8(13)4(7(5)12)9(14,15)16/h1H2,(H,17,18)
InChIKey
XFHNUTKYNIQKJU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(F)c(F)c(c(c1F)F)C(F)(F)F
Isomeric Smiles
C(=O)(Cc1c(c(c(c(c1F)F)C(F)(F)F)F)F)O
Calculated Properties
JChem
Acid pKa
1.9078178
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.19912456
LogD (pH = 7.4)
-0.465112
Log P
3.0596504
Molar Refractivity
44.2049
Polarizability
15.760296
Polar Surface Area
37.3
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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