Molecule
ID:101648
General Information
Molecular Formula
C₁₇H₂₄BNO₄
Molecular Mass
317.18776
Exact Mass
317.17983865
Charge
0
InChI
InChI=1S/C17H24BNO4/c1-16(2)17(3,4)23-18(22-16)14-7-5-13(6-8-14)15(20)19-9-11-21-12-10-19/h5-8H,9-12H2,1-4H3
InChIKey
ZOPBEWUNCNLYSD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCOCC1
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1ccc(C(=O)N2CCOCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7019
LogD (pH = 7.4)
2.7019
Log P
2.7019
Molar Refractivity
83.6594
Polarizability
34.16563
Polar Surface Area
48.0
Rotatable Bonds
2
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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