Molecule
ID:60942
General Information
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-6-3-4-8-7(2)11-10(13)12-9(8)5-6/h3-5H,1-2H3,(H,11,12,13)
InChIKey
MYKXOCJSZBMBKP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(nc2C)O
Isomeric Smiles
n1c(nc(c2c1cc(cc2)C)C)O
Calculated Properties
JChem
Acid pKa
13.944053
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4450607
LogD (pH = 7.4)
2.4450746
Log P
2.4450748
Molar Refractivity
50.3601
Polarizability
20.200453
Polar Surface Area
46.01
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...