Molecule

ID:27121

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKey
KIKKVHHEACDWSX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCC(CC1)C(C)(C)C
Isomeric Smiles
C(=O)(C1CCC(C(C)(C)C)CC1)NN
Calculated Properties
JChem
Acid pKa
13.441319
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.102877
LogD (pH = 7.4)
2.10536
Log P
2.1053922
Molar Refractivity
58.3255
Polarizability
22.894854
Polar Surface Area
55.12
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