Molecule

ID:13956

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃
Molecular Mass
161.20374
Exact Mass
161.09529737
Charge
0
InChI
InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
InChIKey
AQOCOHSUICOLQL-UHFFFAOYSA-N
Canonic Smiles
CCn1c(N)nc2c1cccc2
Isomeric Smiles
c12n(c(nc1cccc2)N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.30381697
LogD (pH = 7.4)
1.0989594
Log P
1.695312
Molar Refractivity
48.7875
Polarizability
19.411222
Polar Surface Area
43.84
Rotatable Bonds
1
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