Molecule

ID:98481

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₂
Molecular Mass
152.1407464
Exact Mass
152.04375663
Charge
0
InChI
InChI=1S/C9H6F2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6,9H
InChIKey
XQCMUGIHRJRSKA-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc(c1)C(F)F
Isomeric Smiles
FC(c1cc(ccc1)C#C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.513169
LogD (pH = 7.4)
2.513169
Log P
2.513169
Molar Refractivity
36.3143
Polarizability
14.158645
Polar Surface Area
0.0
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
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References
Bioactivity
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