Molecule

ID:99403

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇BF₂O₂
Molecular Mass
254.0806864
Exact Mass
254.12896662
Charge
0
InChI
InChI=1S/C13H17BF2O2/c1-8-9(6-7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChIKey
ZFGTVDVAMFQJOZ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(c(c1C)F)F
Isomeric Smiles
Fc1c(ccc(c1C)B1OC(C(O1)(C)C)(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6466
LogD (pH = 7.4)
4.6466
Log P
4.6466
Molar Refractivity
61.1871
Polarizability
25.122427
Polar Surface Area
18.46
Rotatable Bonds
1
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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