Molecule

ID:12903

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13/h3-8H,13H2,1-2H3
InChIKey
ZCCGWYQXOIOJRO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1n1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.696429
LogD (pH = 7.4)
1.8060077
Log P
1.8076
Molar Refractivity
70.8102
Polarizability
23.035347
Polar Surface Area
30.95
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