Molecule
ID:58529
General Information
Molecular Formula
C₁₀H₁₈N₄O
Molecular Mass
210.27612
Exact Mass
210.14806122
Charge
0
InChI
InChI=1S/C10H18N4O/c1-5-9-6(2)13-14(7(9)3)8(4)10(15)12-11/h8H,5,11H2,1-4H3,(H,12,15)
InChIKey
DJJDUEUYMKEJIN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(n1nc(c(c1C)CC)C)C
Isomeric Smiles
n1(c(c(c(n1)C)CC)C)C(C)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.561166
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.62811244
LogD (pH = 7.4)
0.6332876
Log P
0.6333567
Molar Refractivity
71.2296
Polarizability
22.435158
Polar Surface Area
72.94
Rotatable Bonds
3
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...