Molecule

ID:32760

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅BO₄
Molecular Mass
304.189
Exact Mass
304.18458968
Charge
0
InChI
InChI=1S/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)13-8-7-9-14(12-13)20-15-10-5-6-11-19-15/h7-9,12,15H,5-6,10-11H2,1-4H3
InChIKey
RIOLVUFARFCCCE-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1)OC1CCCCO1
Isomeric Smiles
c1(cc(ccc1)OC1CCCCO1)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.3428
LogD (pH = 7.4)
4.3428
Log P
4.3428
Molar Refractivity
80.2098
Polarizability
33.8435
Polar Surface Area
36.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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