Molecule

ID:78162

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉BN₂O₂
Molecular Mass
222.09176
Exact Mass
222.15395826
Charge
0
InChI
InChI=1S/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChIKey
UGCRHVPUHAXAAE-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
n1(cc(B2OC(C(O2)(C)C)(C)C)cn1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5167677
LogD (pH = 7.4)
2.5167997
Log P
2.5168
Molar Refractivity
69.3651
Polarizability
24.418055
Polar Surface Area
36.28
Rotatable Bonds
2
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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