Molecule

ID:75463

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BNO₅
Molecular Mass
251.04356
Exact Mass
251.09650295
Charge
0
InChI
InChI=1S/C11H14BNO5/c1-18-10(14)6-7-13-11(15)8-2-4-9(5-3-8)12(16)17/h2-5,16-17H,6-7H2,1H3,(H,13,15)
InChIKey
NROXSDVUSUSOLU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC(=O)c1ccc(cc1)B(O)O
Isomeric Smiles
B(c1ccc(cc1)C(=O)NCCC(=O)OC)(O)O
Calculated Properties
JChem
Acid pKa
8.598258
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.29185554
LogD (pH = 7.4)
0.26566437
Log P
0.2922
Molar Refractivity
60.1317
Polarizability
24.565388
Polar Surface Area
95.86
Rotatable Bonds
6
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