Molecule

ID:70755

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-6-12-8-11(13,4)5/h12H,6-8H2,1-5H3
InChIKey
DVMUNQAGXAMHOR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNCC1(C)C)OC(C)(C)C
Isomeric Smiles
N1(C(CNCC1)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2428676
LogD (pH = 7.4)
0.49150717
Log P
1.2515379
Molar Refractivity
59.5009
Polarizability
23.692034
Polar Surface Area
41.57
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