Molecule

ID:43532

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₁N₃O₄
Molecular Mass
341.44574
Exact Mass
341.23145649
Charge
0
InChI
InChI=1S/C17H31N3O4/c1-17(2,3)24-16(23)20-12-10-19(11-13-20)9-8-18-6-4-14(5-7-18)15(21)22/h14H,4-13H2,1-3H3,(H,21,22)
InChIKey
DPGAUGYSODOZKT-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)CCN1CCC(CC1)C(=O)O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(CC1)CCN1CCC(C(=O)O)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.21584
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7207242
LogD (pH = 7.4)
-1.703857
Log P
-1.7023867
Molar Refractivity
92.1396
Polarizability
36.083557
Polar Surface Area
73.32
Rotatable Bonds
6
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