Molecule

ID:116774

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₇
Molecular Mass
233.273
Exact Mass
233.13889352
Charge
0
InChI
InChI=1S/C10H15N7/c1-2-17-10-8(14-15-17)9(12-7-13-10)16-5-3-11-4-6-16/h7,11H,2-6H2,1H3
InChIKey
KCJKRRWWXAEAFL-UHFFFAOYSA-N
Canonic Smiles
CCn1nnc2c1ncnc2N1CCNCC1
Isomeric Smiles
c12nnn(c1ncnc2N1CCNCC1)CC
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-2.518888
LogD (pH = 7.4)
-0.90821224
Log P
0.39229092
Molar Refractivity
76.1371
Polarizability
24.248196
Polar Surface Area
71.76
Rotatable Bonds
2
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