Molecule

ID:33629

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c12-10-11(6-2-3-7-11)13-8-4-1-5-9-13/h1-9H2
InChIKey
WIHSUXKKKPZENV-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCCC1)N1CCCCC1
Isomeric Smiles
N1(C2(C#N)CCCC2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.81622887
LogD (pH = 7.4)
2.0566964
Log P
2.1593168
Molar Refractivity
53.647
Polarizability
20.904577
Polar Surface Area
27.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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