Molecule

ID:76705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₉O₂
Molecular Mass
295.30108
Exact Mass
295.15052083
Charge
0
InChI
InChI=1S/C10H17N9O2/c1-3-18(4-2)5-6-7(10(20)13-12)14-17-19(6)9-8(11)15-21-16-9/h3-5,12H2,1-2H3,(H2,11,15)(H,13,20)
InChIKey
MPJAZEZILTVHNX-UHFFFAOYSA-N
Canonic Smiles
CCN(Cc1c(nnn1c1nonc1N)C(=O)NN)CC
Isomeric Smiles
n1c(n2nnc(c2CN(CC)CC)C(=O)NN)c(no1)N
Calculated Properties
JChem
Acid pKa
11.067517
H Acceptors
8
H Donor
3
LogD (pH = 5.5)
-2.9039576
LogD (pH = 7.4)
-1.244552
Log P
-0.8579484
Molar Refractivity
79.5826
Polarizability
27.31852
Polar Surface Area
154.01
Rotatable Bonds
6
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