Molecule

ID:50811

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃O₃
Molecular Mass
295.3773
Exact Mass
295.18959168
Charge
0
InChI
InChI=1S/C15H25N3O3/c1-14(2,3)21-13(19)17-6-8-18(9-7-17)15(12-16)4-10-20-11-5-15/h4-11H2,1-3H3
InChIKey
YQIKHIULRLIYJH-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCOCC1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(C2(C#N)CCOCC2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6465097
LogD (pH = 7.4)
0.662492
Log P
0.6626996
Molar Refractivity
79.3178
Polarizability
30.89685
Polar Surface Area
65.8
Rotatable Bonds
3
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