Molecule
ID:119189
General Information
Molecular Formula
C₁₄H₈O₄
Molecular Mass
240.21092
Exact Mass
240.04225874
Charge
0
InChI
InChI=1S/C14H8O4/c15-13-11-4-2-1-3-10(11)12(14(16)18-13)7-9-5-6-17-8-9/h1-8H/b12-7+
InChIKey
KDKSRFQWRGAOFD-KPKJPENVSA-N
Canonic Smiles
O=C1OC(=O)c2c(/C/1=C\c1ccoc1)cccc2
Isomeric Smiles
C\1(=C\c2cocc2)/C(=O)OC(=O)c2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.969508
LogD (pH = 7.4)
2.969508
Log P
2.969508
Molar Refractivity
64.0762
Polarizability
24.146952
Polar Surface Area
56.51
Rotatable Bonds
1
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...