Molecule

ID:58074

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-2-10-5-6-13-12(10)7-9(1)8-14-11-3-4-11/h1-2,5-7,11,13-14H,3-4,8H2
InChIKey
JSZLENRSYZZTSC-UHFFFAOYSA-N
Canonic Smiles
c1cc2c([nH]1)cc(cc2)CNC1CC1
Isomeric Smiles
c12[nH]ccc1ccc(c2)CNC1CC1
Calculated Properties
JChem
Acid pKa
16.347221
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.0725317
LogD (pH = 7.4)
0.045405447
Log P
2.0959213
Molar Refractivity
57.6037
Polarizability
23.795609
Polar Surface Area
27.82
Rotatable Bonds
3
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