Molecule

ID:43902

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂O₄
Molecular Mass
362.41838
Exact Mass
362.15180918
Charge
0
InChI
InChI=1S/C23H22O4/c1-18(24)20-8-5-9-23(16-20)26-15-14-25-21-10-12-22(13-11-21)27-17-19-6-3-2-4-7-19/h2-13,16H,14-15,17H2,1H3
InChIKey
QHNZKDDSQRNEFC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)OCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1(C(=O)C)cc(OCCOc2ccc(OCc3ccccc3)cc2)ccc1
Calculated Properties
JChem
Acid pKa
15.952598
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.5840735
LogD (pH = 7.4)
4.5840735
Log P
4.5840735
Molar Refractivity
104.552
Polarizability
40.806217
Polar Surface Area
44.76
Rotatable Bonds
9
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