Molecule

ID:75184

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈N₂O₂
Molecular Mass
244.37362
Exact Mass
244.21507815
Charge
0
InChI
InChI=1S/C13H28N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11,14H2,1-3H3,(H,15,16)
InChIKey
BEHVGNKIRNVBPF-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
NCCCCCCCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.286335
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.59873646
LogD (pH = 7.4)
-0.17895983
Log P
2.4252517
Molar Refractivity
70.6556
Polarizability
28.099009
Polar Surface Area
64.35
Rotatable Bonds
10
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