Molecule

ID:24364

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c12-11(14)7-9-13-8-6-10-4-2-1-3-5-10/h4,13H,1-3,5-9H2,(H2,12,14)
InChIKey
WSIDHIOEDOCJJP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCNCCC1=CCCCC1
Isomeric Smiles
C(=O)(CCNCCC1=CCCCC1)N
Calculated Properties
JChem
Acid pKa
16.722565
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.4161181
LogD (pH = 7.4)
-1.5637896
Log P
0.79049367
Molar Refractivity
58.5726
Polarizability
22.755384
Polar Surface Area
55.12
Rotatable Bonds
6
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