Molecule

ID:99558

General Information
Structure
MolImage
Molecular Formula
C₄H₈BF₃O
Molecular Mass
139.9119296
Exact Mass
140.06202994
Charge
0
InChI
InChI=1S/C4H8O.BF3/c1-2-4-5-3-1;2-1(3)4/h1-4H2;
InChIKey
CHNLPLHJUPMEOI-UHFFFAOYSA-N
Canonic Smiles
C1CCCO1.FB(F)F
Isomeric Smiles
O1CCCC1.B(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.53034693
LogD (pH = 7.4)
0.53034693
Log P
0.53034693
Molar Refractivity
20.5535
Polarizability
8.060449
Polar Surface Area
9.23
Rotatable Bonds
0
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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