Molecule

ID:88380

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉BN₂O₂
Molecular Mass
222.09176
Exact Mass
222.15395826
Charge
0
InChI
InChI=1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChIKey
ZLIQCQOFVHSHPX-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1C)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
n1(ncc(c1C)B1OC(C(O1)(C)C)(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.188689
LogD (pH = 7.4)
2.1887987
Log P
2.1888
Molar Refractivity
69.7662
Polarizability
24.340153
Polar Surface Area
36.28
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation