Molecule

ID:43895

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₅
Molecular Mass
300.30594
Exact Mass
300.09977361
Charge
0
InChI
InChI=1S/C17H16O5/c1-20-17(19)14-5-7-15(8-6-14)21-9-10-22-16-4-2-3-13(11-16)12-18/h2-8,11-12H,9-10H2,1H3
InChIKey
QCRFSXFSMSANKT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCOc1cccc(c1)C=O
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCOc1cc(C=O)ccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1756034
LogD (pH = 7.4)
3.1756034
Log P
3.1756034
Molar Refractivity
81.6827
Polarizability
31.283306
Polar Surface Area
61.83
Rotatable Bonds
8
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