Molecule

ID:54665

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₃
Molecular Mass
305.37212
Exact Mass
305.17394161
Charge
0
InChI
InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)14(20)12-6-4-5-7-13(12)17/h4-7H,8-11,17H2,1-3H3
InChIKey
ADPPEIPGCXTGBZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)C(=O)c1ccccc1N)OC(C)(C)C
Isomeric Smiles
C(=O)(c1c(N)cccc1)N1CCN(C(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8389041
LogD (pH = 7.4)
1.8395685
Log P
1.839577
Molar Refractivity
85.3807
Polarizability
32.07105
Polar Surface Area
75.87
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