Molecule

ID:93073

General Information
Structure
Molecular Formula
C₁₆H₇F₁₇
Molecular Mass
522.1996344
Exact Mass
522.02762996
Charge
0
InChI
InChI=1S/C16H7F17/c1-2-7-3-5-8(6-4-7)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-6H,1H2
InChIKey
DBTAMHSPOTZDDY-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(c1ccc(cc1)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.492295
LogD (pH = 7.4)
8.492295
Log P
8.492295
Molar Refractivity
74.394
Polarizability
27.362543
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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