Molecule

ID:81971

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₃
Molecular Mass
266.29126
Exact Mass
266.09429431
Charge
0
InChI
InChI=1S/C17H14O3/c1-20-17(19)15-10-7-13(8-11-15)9-12-16(18)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey
CADDVOXTZYEXKQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)/C=C/C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1)/C=C/C(=O)c1ccccc1)OC
Calculated Properties
JChem
Acid pKa
16.5268
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8938022
LogD (pH = 7.4)
3.8938022
Log P
3.8938022
Molar Refractivity
78.9023
Polarizability
29.751951
Polar Surface Area
43.37
Rotatable Bonds
5
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