Molecule

ID:64988

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)15-13(19-5)7-6-8-14(15)20-11-12-9-10-12/h6-8,12H,9-11H2,1-5H3
InChIKey
VAQINLXZPDYEGM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1B1OC(C(O1)(C)C)(C)C)OCC1CC1
Isomeric Smiles
c1ccc(c(c1OC)B1OC(C(O1)(C)C)(C)C)OCC1CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.1049
LogD (pH = 7.4)
4.1049
Log P
4.1049
Molar Refractivity
80.5815
Polarizability
33.832638
Polar Surface Area
36.92
Rotatable Bonds
5
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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