Molecule

ID:85276

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₃
Molecular Mass
268.30714
Exact Mass
268.10994437
Charge
0
InChI
InChI=1S/C17H16O3/c1-19-15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(20-2)11-7-14/h3-12H,1-2H3
InChIKey
HDXVSZWKIHQDES-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)OC
Isomeric Smiles
O=C(c1ccc(cc1)OC)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
17.261032
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.574983
LogD (pH = 7.4)
3.574983
Log P
3.574983
Molar Refractivity
79.8034
Polarizability
30.369942
Polar Surface Area
35.53
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