Molecule

ID:33561

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂
Molecular Mass
210.35894
Exact Mass
210.20959884
Charge
0
InChI
InChI=1S/C13H26N2/c14-12-13(8-4-3-5-9-13)15-10-6-1-2-7-11-15/h1-12,14H2
InChIKey
ZZAIMEBDRZFIHM-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)N1CCCCCC1
Isomeric Smiles
N1(C2(CN)CCCCC2)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6955179
LogD (pH = 7.4)
-0.8936656
Log P
2.4111598
Molar Refractivity
65.5847
Polarizability
26.303617
Polar Surface Area
29.26
Rotatable Bonds
2
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