Molecule

ID:78093

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BN₂O₂
Molecular Mass
220.07588
Exact Mass
220.13830819
Charge
0
InChI
InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3,(H2,13,14)
InChIKey
DCYKWKYBNWRLLZ-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(c2cc(ncc2)N)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.483119
LogD (pH = 7.4)
2.5036318
Log P
2.5039
Molar Refractivity
58.5701
Polarizability
24.242012
Polar Surface Area
57.37
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