Molecule

ID:77487

General Information
Structure
Molecular Formula
C₁₀H₁₂N₂
Molecular Mass
160.21568
Exact Mass
160.10004839
Charge
0
InChI
InChI=1S/C10H12N2/c1-12-6-5-8-3-2-4-9(7-11)10(8)12/h2-6H,7,11H2,1H3
InChIKey
FXHZVBVUMCIDPK-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc2c1n(C)cc2
Isomeric Smiles
n1(ccc2c1c(ccc2)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5759721
LogD (pH = 7.4)
-0.7216988
Log P
1.4214523
Molar Refractivity
50.5146
Polarizability
20.76731
Polar Surface Area
30.95
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