Molecule

ID:75311

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-6-11-7-4-9(13-2)10(14-3)5-8(7)12-6/h4-5H,1-3H3,(H,11,12)
InChIKey
UZXACZRAUVKJFI-UHFFFAOYSA-N
Canonic Smiles
COc1cc2[nH]c(nc2cc1OC)C
Isomeric Smiles
[nH]1c(nc2cc(c(cc12)OC)OC)C
Calculated Properties
JChem
Acid pKa
13.015725
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.16021861
LogD (pH = 7.4)
0.8896111
Log P
1.0672262
Molar Refractivity
52.3356
Polarizability
21.436277
Polar Surface Area
47.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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