Molecule

ID:9400

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂
Molecular Mass
128.1193464
Exact Mass
128.04375663
Charge
0
InChI
InChI=1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
YSNVKDGEALPJGC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)F
Isomeric Smiles
c1(ccc(c(c1)C)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7720711
LogD (pH = 7.4)
2.7720711
Log P
2.7720711
Molar Refractivity
31.532
Polarizability
11.483347
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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