Molecule

ID:136015

General Information
Structure
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Molecular Formula
C₄H₁₁BO
Molecular Mass
85.94054
Exact Mass
86.09029537
Charge
0
InChI
InChI=1S/C4H8O.BH3/c1-2-4-5-3-1;/h1-4H2;1H3
InChIKey
RMCYTHFAWCWRFA-UHFFFAOYSA-N
Canonic Smiles
C1CCCO1.B
Isomeric Smiles
B.C1CCOC1
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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