Molecule

ID:87782

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄BNO₅
Molecular Mass
393.24066
Exact Mass
393.17475327
Charge
0
InChI
InChI=1S/C22H24BNO5/c1-21(2)22(3,4)29-23(28-21)15-9-11-16(12-10-15)27-14-13-24-19(25)17-7-5-6-8-18(17)20(24)26/h5-12H,13-14H2,1-4H3
InChIKey
KTVTYHREIHAMSB-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCOc2ccc(cc2)B2OC(C(O2)(C)C)(C)C)C(=O)c2c1cccc2
Isomeric Smiles
O1B(c2ccc(cc2)OCCN2C(=O)c3c(cccc3)C2=O)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.096
LogD (pH = 7.4)
4.096
Log P
4.096
Molar Refractivity
104.4188
Polarizability
41.75838
Polar Surface Area
65.07
Rotatable Bonds
5
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