Molecule
ID:119718
General Information
Molecular Formula
C₁₉H₁₆O₇
Molecular Mass
356.32614
Exact Mass
356.08960285
Charge
0
InChI
InChI=1S/C19H16O7/c1-23-14-5-3-4-11(19(14)24-2)8-16-18(22)13-7-6-12(9-15(13)26-16)25-10-17(20)21/h3-9H,10H2,1-2H3,(H,20,21)/b16-8-
InChIKey
GPULRKODCUQIRB-PXNMLYILSA-N
Canonic Smiles
COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)O
Isomeric Smiles
C\1(=C\c2c(c(OC)ccc2)OC)/C(=O)c2c(O1)cc(OCC(=O)O)cc2
Calculated Properties
JChem
Acid pKa
2.8154175
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-0.42021707
LogD (pH = 7.4)
-1.2855736
Log P
2.207244
Molar Refractivity
92.5205
Polarizability
35.24443
Polar Surface Area
91.29
Rotatable Bonds
6
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...