Molecule
ID:102030
General Information
Molecular Formula
C₁₅H₂₄BNO₆
Molecular Mass
325.16516
Exact Mass
325.16966789
Charge
0
InChI
InChI=1S/C15H24BNO6/c1-14(2)15(3,4)23-16(22-14)9-10(18-5)12(20-7)17-13(21-8)11(9)19-6/h1-8H3
InChIKey
HFGRCPJXQVCNSG-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)nc(c(c1B1OC(C(O1)(C)C)(C)C)OC)OC
Isomeric Smiles
c1(c(nc(c(c1B1OC(C(O1)(C)C)(C)C)OC)OC)OC)OC
Calculated Properties
JChem
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
2.9748998
LogD (pH = 7.4)
2.9749
Log P
2.9749
Molar Refractivity
80.036
Polarizability
33.24458
Polar Surface Area
68.27
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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