Molecule

ID:64300

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉BO₃
Molecular Mass
198.06706
Exact Mass
198.14272487
Charge
0
InChI
InChI=1S/C10H19BO3/c1-6-12-8-7-11-13-9(2,3)10(4,5)14-11/h7-8H,6H2,1-5H3/b8-7-
InChIKey
MRAYNLYCQPAZJN-FPLPWBNLSA-N
Canonic Smiles
CCO/C=C\B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)/C=C\OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6406
LogD (pH = 7.4)
2.6406
Log P
2.6406
Molar Refractivity
51.1986
Polarizability
22.237833
Polar Surface Area
27.69
Rotatable Bonds
3
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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