Molecule

ID:6754

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₅NO
Molecular Mass
211.088896
Exact Mass
211.00565479
Charge
0
InChI
InChI=1S/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)
InChIKey
WPWWHXPRJFDTTJ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(C(=O)N)c(c(c1F)F)F
Isomeric Smiles
C(=O)(c1c(c(c(c(c1F)F)F)F)F)N
Calculated Properties
JChem
Acid pKa
10.252423
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5374026
LogD (pH = 7.4)
1.5379392
Log P
1.5373958
Molar Refractivity
36.2184
Polarizability
12.581064
Polar Surface Area
43.09
Rotatable Bonds
1
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
References
Bioactivity
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