Molecule

ID:40964

General Information
Structure
Molecular Formula
C₁₉H₁₈O₄
Molecular Mass
310.34382
Exact Mass
310.12050906
Charge
0
InChI
InChI=1S/C19H18O4/c1-2-23-19(22)16(13-17(20)21)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,20,21)
InChIKey
DLPKPLGMFNWETI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C(=C(\c1ccccc1)/c1ccccc1)/CC(=O)O
Isomeric Smiles
C(=C(\c1ccccc1)/c1ccccc1)(\C(=O)OCC)/CC(=O)O
Calculated Properties
JChem
Acid pKa
4.320398
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6197214
LogD (pH = 7.4)
0.87714887
Log P
3.8251975
Molar Refractivity
96.7538
Polarizability
33.906796
Polar Surface Area
63.6
Rotatable Bonds
7
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