Molecule

ID:9019

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₁₃O
Molecular Mass
376.1146416
Exact Mass
376.01328164
Charge
0
InChI
InChI=1S/C9H5F13O/c10-4(11,1-3-2-23-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,1-2H2
InChIKey
KGYUZRBIQCDOCN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F
Isomeric Smiles
C(C(C(C(C(CC1OC1)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7414045
LogD (pH = 7.4)
4.7414045
Log P
4.7414045
Molar Refractivity
43.9556
Polarizability
17.226852
Polar Surface Area
9.23
Rotatable Bonds
7
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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