Molecule

ID:87388

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀BNO₄
Molecular Mass
311.2247
Exact Mass
311.22678885
Charge
0
InChI
InChI=1S/C16H30BNO4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17/h12H,8-11H2,1-7H3
InChIKey
IBLQMWKHENBVJE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCC(B2OC(C)(C)C(O2)(C)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2819
LogD (pH = 7.4)
3.2819
Log P
3.2819
Molar Refractivity
80.9492
Polarizability
34.01851
Polar Surface Area
48.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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