Molecule

ID:34565

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂
Molecular Mass
210.35894
Exact Mass
210.20959884
Charge
0
InChI
InChI=1S/C13H26N2/c1-2-4-11-15(10-3-1)12-7-13-5-8-14-9-6-13/h13-14H,1-12H2
InChIKey
YCJUPXPSGLFKEE-UHFFFAOYSA-N
Canonic Smiles
C1CCCN(CC1)CCC1CCNCC1
Isomeric Smiles
C1NCCC(C1)CCN1CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.7404895
LogD (pH = 7.4)
-3.4958265
Log P
1.9560782
Molar Refractivity
66.3835
Polarizability
26.303617
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