Molecule

ID:75162

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BO₄
Molecular Mass
262.10926
Exact Mass
262.13763949
Charge
0
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(16)17-5/h6-9H,1-5H3
InChIKey
JBJGSVBGUBATNH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O=C(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.048
LogD (pH = 7.4)
4.048
Log P
4.048
Molar Refractivity
67.7384
Polarizability
28.418022
Polar Surface Area
44.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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