Molecule
ID:124365
General Information
Molecular Formula
C₁₀H₁₀N₆O₂
Molecular Mass
246.2254
Exact Mass
246.08652359
Charge
0
InChI
InChI=1S/C10H10N6O2/c1-17-7-3-5-6(4-8(7)18-2)16-10(12-9(5)11)13-14-15-16/h3-4H,1-2H3,(H2,11,12,13,15)
InChIKey
NBOSJTUOVJBYTE-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)c(N)nc1n2nnn1
Isomeric Smiles
c12n(c3c(c(n1)N)cc(c(c3)OC)OC)nnn2
Calculated Properties
JChem
Acid pKa
18.820312
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
0.31974494
LogD (pH = 7.4)
0.319745
Log P
0.319745
Molar Refractivity
77.272
Polarizability
24.36522
Polar Surface Area
100.45
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...