Molecule

ID:74342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h10-12H,2-9H2,1H3
InChIKey
MPXFUSKDKWZTPI-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C1CCNCC1
Isomeric Smiles
N1(C2CCNCC2)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.96307
LogD (pH = 7.4)
-2.910813
Log P
0.9713129
Molar Refractivity
56.8351
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
1
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