Molecule

ID:30969

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4,13H2
InChIKey
POYRLWQLOUUKAY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)c1CCCCc1[nH]2
Isomeric Smiles
[nH]1c2c(c3c1ccc(c3)N)CCCC2
Calculated Properties
JChem
Acid pKa
18.10972
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.4519713
LogD (pH = 7.4)
2.459335
Log P
2.4594297
Molar Refractivity
59.3586
Polarizability
23.214571
Polar Surface Area
41.81
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