Molecule

ID:80684

General Information
Structure
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8,11H2
InChIKey
AVKMXPDYQVKSFF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)n1cccn1
Isomeric Smiles
n1(c2ccc(cc2)CN)nccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8096224
LogD (pH = 7.4)
-0.9262716
Log P
1.1848328
Molar Refractivity
52.8931
Polarizability
20.806177
Polar Surface Area
43.84
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