Molecule

ID:41448

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-12-7-15-10/h2-7H,1H3
InChIKey
LFNHUUMUCVZCGY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ocnc1
Isomeric Smiles
n1coc(c1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4858354
LogD (pH = 7.4)
1.4858406
Log P
1.4858407
Molar Refractivity
53.8064
Polarizability
21.679865
Polar Surface Area
52.33
Rotatable Bonds
3
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