Molecule

ID:75517

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈BN₃O₄
Molecular Mass
373.25432
Exact Mass
373.21728679
Charge
0
InChI
InChI=1S/C19H28BN3O4/c1-17(2,24)16-13-23(22-21-16)11-12-25-15-9-7-14(8-10-15)20-26-18(3,4)19(5,6)27-20/h7-10,13,24H,11-12H2,1-6H3
InChIKey
OKOUBKBWLIHWAD-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCn1nnc(c1)C(O)(C)C
Isomeric Smiles
n1nc(cn1CCOc1ccc(cc1)B1OC(C)(C)C(O1)(C)C)C(O)(C)C
Calculated Properties
JChem
Acid pKa
13.691827
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
3.2110991
LogD (pH = 7.4)
3.2110999
Log P
3.2111
Molar Refractivity
109.0266
Polarizability
39.953373
Polar Surface Area
78.63
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