Molecule
ID:16034
General Information
Molecular Formula
C₇H₆O₄
Molecular Mass
154.12014
Exact Mass
154.02660867
Charge
0
InChI
InChI=1S/C7H6O4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2,8-9H,3H2
InChIKey
RKNJUCIWLBSDLM-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2OCOc2cc1O
Isomeric Smiles
O1COc2c1cc(c(c2)O)O
Calculated Properties
JChem
Acid pKa
9.562179
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9893113
LogD (pH = 7.4)
0.98638886
Log P
0.98934865
Molar Refractivity
35.7867
Polarizability
14.094801
Polar Surface Area
58.92
Rotatable Bonds
0
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...