Molecule
ID:51397
General Information
Molecular Formula
C₁₁H₈F₂
Molecular Mass
178.1780264
Exact Mass
178.0594067
Charge
0
InChI
InChI=1S/C11H8F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKey
BVMYLIYGDBEEAX-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc2c1cccc2)F
Isomeric Smiles
c1(cccc2ccccc12)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3518105
LogD (pH = 7.4)
3.3518105
Log P
3.3518105
Molar Refractivity
47.5922
Polarizability
19.021168
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
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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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