Molecule

ID:54988

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₂
Molecular Mass
138.1141664
Exact Mass
138.02810657
Charge
0
InChI
InChI=1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChIKey
HRUJQXRGWQWYDH-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(cc1F)F
Isomeric Smiles
c1(c(cc(cc1)F)F)C#C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4094849
LogD (pH = 7.4)
2.4094849
Log P
2.4094849
Molar Refractivity
31.6631
Polarizability
12.289369
Polar Surface Area
0.0
Rotatable Bonds
0
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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