Molecule

ID:30619

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
InChIKey
XSJFYCYUKSAOIY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CN1CCCC1
Isomeric Smiles
N1(Cc2ccc(cc2)CN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8842583
LogD (pH = 7.4)
-2.5548537
Log P
1.4462085
Molar Refractivity
60.6151
Polarizability
23.748205
Polar Surface Area
29.26
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