Molecule

ID:97095

General Information
Structure
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Molecular Formula
C₈H₆F₂
Molecular Mass
140.1300464
Exact Mass
140.04375663
Charge
0
InChI
InChI=1S/C8H6F2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChIKey
SFHOANYKPCNYMB-UHFFFAOYSA-N
Canonic Smiles
C=Cc1c(F)cccc1F
Isomeric Smiles
Fc1cccc(c1C=C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9953518
LogD (pH = 7.4)
2.9953518
Log P
2.9953518
Molar Refractivity
36.1771
Polarizability
13.192696
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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