Molecule

ID:67756

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃BN₂O₄
Molecular Mass
294.15442
Exact Mass
294.17508763
Charge
0
InChI
InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
InChIKey
IPISOFJLWYBCAV-UHFFFAOYSA-N
Canonic Smiles
O=C(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Isomeric Smiles
n1(ncc(c1)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2124
LogD (pH = 7.4)
3.2124
Log P
3.2124
Molar Refractivity
74.1
Polarizability
30.796682
Polar Surface Area
62.58
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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