Molecule
ID:119762
General Information
Molecular Formula
C₁₅H₁₆O₅
Molecular Mass
276.28454
Exact Mass
276.09977361
Charge
0
InChI
InChI=1S/C15H16O5/c1-8-5-11(18-3)14-9(2)10(7-13(16)19-4)15(17)20-12(14)6-8/h5-6H,7H2,1-4H3
InChIKey
APSIZFDHWDCUSG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1c(=O)oc2c(c1C)c(OC)cc(c2)C
Isomeric Smiles
c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1042757
LogD (pH = 7.4)
2.1042757
Log P
2.1042757
Molar Refractivity
72.7276
Polarizability
28.144882
Polar Surface Area
61.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...