Molecule

ID:25831

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂O₃
Molecular Mass
298.37618
Exact Mass
298.15689456
Charge
0
InChI
InChI=1S/C19H22O3/c1-19(2,3)16-6-8-17(9-7-16)22-13-15-11-14(12-20)5-10-18(15)21-4/h5-12H,13H2,1-4H3
InChIKey
ALTPVANEVVCQNK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1ccc(cc1)C(C)(C)C)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.639935
LogD (pH = 7.4)
4.639935
Log P
4.639935
Molar Refractivity
88.8469
Polarizability
34.138706
Polar Surface Area
35.53
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