Molecule

ID:7771

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₅
Molecular Mass
208.128016
Exact Mass
208.03114126
Charge
0
InChI
InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2
InChIKey
YBDBTBVNQQBHGJ-UHFFFAOYSA-N
Canonic Smiles
C=CCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
C(=C)Cc1c(F)c(F)c(c(c1F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7853262
LogD (pH = 7.4)
3.7853262
Log P
3.7853262
Molar Refractivity
41.4273
Polarizability
14.521633
Polar Surface Area
0.0
Rotatable Bonds
2
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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