Molecule

ID:54958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)5-11-4/h8,11H,5-7H2,1-4H3
InChIKey
LNDGYTKISRFVOI-UHFFFAOYSA-N
Canonic Smiles
CNCC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CN1C(=O)OC(C)(C)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6217747
LogD (pH = 7.4)
-2.1237555
Log P
0.60817206
Molar Refractivity
55.0013
Polarizability
21.854008
Polar Surface Area
41.57
Rotatable Bonds
4
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