Molecule

ID:39897

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)12-4-6-13(17)7-5-12/h4-7H,8-11,17H2,1-3H3
InChIKey
PCJKGZGOTDJFBX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(C(=O)c2ccc(N)cc2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1864451
LogD (pH = 7.4)
1.1895374
Log P
1.189577
Molar Refractivity
85.3807
Polarizability
32.069187
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