Molecule

ID:15225

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-6,12,15-16H,2,7-8H2,1H3
InChIKey
IDYXWUNHHTZQSB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1NCc2c(C1)c1ccccc1[nH]2
Isomeric Smiles
c12c3c([nH]c1CNC(C2)C(=O)OCC)cccc3
Calculated Properties
JChem
Acid pKa
15.374862
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6210399
LogD (pH = 7.4)
1.7804251
Log P
1.7828878
Molar Refractivity
68.9272
Polarizability
28.14813
Polar Surface Area
54.12
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