Molecule

ID:88992

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8-6-4-5-7-9(8)13(2)12-10/h4-7H,3H2,1-2H3
InChIKey
BFBXCNIZWSOGIE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2c1cccc2)C
Isomeric Smiles
n1c(c2c(cccc2)n1C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9661189
LogD (pH = 7.4)
1.966119
Log P
1.966119
Molar Refractivity
67.691
Polarizability
22.678724
Polar Surface Area
44.12
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