Molecule

ID:47873

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c1-10-9-12(6-7-13(10)14)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKey
TZGRJKIRIAWBQL-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1ccc(c(c1)C)N
Isomeric Smiles
N1(c2cc(c(cc2)N)C)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1685882
LogD (pH = 7.4)
2.73753
Log P
3.0327263
Molar Refractivity
66.789
Polarizability
24.715555
Polar Surface Area
29.26
Rotatable Bonds
1
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