Molecule

ID:92711

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BN₂O₅
Molecular Mass
266.0582
Exact Mass
266.10740199
Charge
0
InChI
InChI=1S/C11H15BN2O5/c1-2-3-4-13-11(15)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,2-4H2,1H3,(H,13,15)
InChIKey
BXFORXWKNBRZNX-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Isomeric Smiles
B(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCCC)(O)O
Calculated Properties
JChem
Acid pKa
8.243034
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.69762
LogD (pH = 7.4)
1.6404382
Log P
1.6984
Molar Refractivity
64.7727
Polarizability
25.680996
Polar Surface Area
112.7
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