Molecule

ID:91176

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃
Molecular Mass
175.23032
Exact Mass
175.11094743
Charge
0
InChI
InChI=1S/C10H13N3/c1-8-9(7-11-2)13-6-4-3-5-10(13)12-8/h3-6,11H,7H2,1-2H3
InChIKey
RDOSBGVNNQNNAV-UHFFFAOYSA-N
Canonic Smiles
CNCc1c(C)nc2n1cccc2
Isomeric Smiles
n1c2n(cccc2)c(c1C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9702475
LogD (pH = 7.4)
-1.271402
Log P
0.36926955
Molar Refractivity
53.6534
Polarizability
20.263819
Polar Surface Area
29.33
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