Molecule

ID:123733

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂
Molecular Mass
172.22638
Exact Mass
172.10004839
Charge
0
InChI
InChI=1S/C11H12N2/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h3-6H,1-2H3,(H2,12,13)
InChIKey
MWEAEUSVMYYGPK-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(N)ccn2
Isomeric Smiles
c12c(c(cc(c2)C)C)nccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.99768096
LogD (pH = 7.4)
1.4341056
Log P
2.3288174
Molar Refractivity
54.7621
Polarizability
21.685753
Polar Surface Area
38.91
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