Molecule

ID:17211

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10,12H2
InChIKey
FFNSNUBYKYSWNB-UHFFFAOYSA-N
Canonic Smiles
NC1(CCCCC1)CN1CCCC1
Isomeric Smiles
C1(CCCCC1)(N)CN1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9966912
LogD (pH = 7.4)
-1.8651408
Log P
1.5220224
Molar Refractivity
56.3827
Polarizability
22.610828
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