Molecule

ID:74200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₅
Molecular Mass
213.23854
Exact Mass
213.10144538
Charge
0
InChI
InChI=1S/C11H11N5/c1-6-5-13-9-7(14-6)3-4-8-10(9)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)
InChIKey
LDBGZSRZUHNKMJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc2c(n1)ccc1c2nc(n1C)N
Isomeric Smiles
Cn1c(N)nc2c3ncc(C)nc3ccc12
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7198006
LogD (pH = 7.4)
0.7946563
Log P
0.79570687
Molar Refractivity
60.0228
Polarizability
25.074205
Polar Surface Area
69.62
Rotatable Bonds
0
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