Molecule

ID:71950

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₄
Molecular Mass
258.31408
Exact Mass
258.15795719
Charge
0
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-7-5-13(6-8-14)9-10(15)17-4/h5-9H2,1-4H3
InChIKey
NZVUWEZJFULOOK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(CCN(C1)CC(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.50747645
LogD (pH = 7.4)
0.56059057
Log P
0.56131154
Molar Refractivity
66.5923
Polarizability
26.354218
Polar Surface Area
59.08
Rotatable Bonds
5
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