Molecule

ID:101435

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-7-12-13-10(16-7)8-3-5-9(6-4-8)11(14)15-2/h3-6H,1-2H3
InChIKey
VDLCZLXZHGXCKE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1nnc(o1)C
Isomeric Smiles
n1c(oc(n1)C)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1059973
LogD (pH = 7.4)
1.1059974
Log P
1.1059974
Molar Refractivity
68.5512
Polarizability
21.926573
Polar Surface Area
65.22
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