Molecule

ID:65993

General Information
Structure
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c1-7(2)5-10-8(3,4)6-9/h7,10H,5H2,1-4H3
InChIKey
IXICTGPBRRDJPC-UHFFFAOYSA-N
Canonic Smiles
CC(CNC(C#N)(C)C)C
Isomeric Smiles
N#CC(NCC(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.69615656
LogD (pH = 7.4)
1.5530242
Log P
1.588887
Molar Refractivity
42.7087
Polarizability
16.83952
Polar Surface Area
35.82
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