Molecule

ID:95422

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₁₂O₂
Molecular Mass
388.1501584
Exact Mass
388.03326814
Charge
0
InChI
InChI=1S/C10H8F12O2/c11-5(12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-23-1-4-2-24-4/h4-5H,1-3H2
InChIKey
BUSYHRRDAMGPJN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(COCC1OC1)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(CC(C(C(F)(F)C(F)(F)C(C(F)F)(F)F)(F)F)(F)F)CC1CO1
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9353654
LogD (pH = 7.4)
3.9353654
Log P
3.9353654
Molar Refractivity
49.6576
Polarizability
19.534742
Polar Surface Area
21.76
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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