Molecule

ID:78676

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₄
Molecular Mass
312.3597
Exact Mass
312.13615912
Charge
0
InChI
InChI=1S/C19H20O4/c1-13-5-8-15(9-6-13)16(20)10-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h5-12H,1-4H3
InChIKey
OSPIHNUGEOGEEL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2ccc(cc2)C)cc(c1OC)OC
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
Acid pKa
16.94716
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.930733
LogD (pH = 7.4)
3.930733
Log P
3.930733
Molar Refractivity
91.3078
Polarizability
34.648582
Polar Surface Area
44.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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