Molecule

ID:101202

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-14-11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h5-7,10,14H,2-4,8-9,11H2,1H3
InChIKey
WHELHMLNRPDTJU-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)N1CCCCC1
Isomeric Smiles
N1(c2cc(CNC)ccc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.81233394
LogD (pH = 7.4)
0.19947572
Log P
2.4900045
Molar Refractivity
65.8766
Polarizability
25.193615
Polar Surface Area
15.27
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