Molecule

ID:77278

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8/h3-6H,2H2,1H3
InChIKey
KQWAZLUOYYQTIE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)c1ccco1
Isomeric Smiles
n1c(cc(o1)c1ccco1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5113996
LogD (pH = 7.4)
1.5113996
Log P
1.5113996
Molar Refractivity
51.3065
Polarizability
20.460814
Polar Surface Area
65.47
Rotatable Bonds
4
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