Molecule

ID:88656

General Information
Structure
Molecular Formula
C₁₇H₂₅BO₄
Molecular Mass
304.189
Exact Mass
304.18458968
Charge
0
InChI
InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-8-10-13(11-9-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
InChIKey
GNXLDEFJAZGNCJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Isomeric Smiles
B1(c2ccc(cc2)C(=O)OC(C)(C)C)OC(C)(C)C(O1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8818
LogD (pH = 7.4)
4.8818
Log P
4.8818
Molar Refractivity
81.544
Polarizability
33.941624
Polar Surface Area
44.76
Rotatable Bonds
4
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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