Molecule

ID:50893

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c14-9-8-12-4-6-13(7-5-12)15-10-2-1-3-11-15/h4-7H,1-3,8-11,14H2
InChIKey
HTKAXRQMCRKDSV-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(cc2)CCN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0945388
LogD (pH = 7.4)
-0.029199395
Log P
2.3460855
Molar Refractivity
65.857
Polarizability
25.115288
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