Molecule

ID:74088

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-9-7-18(8-10-19)12-13-5-4-6-14(11-13)15(20)21/h4-6,11H,7-10,12H2,1-3H3,(H,20,21)
InChIKey
CXJBKOKDFABTQO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)Cc1cccc(c1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(CCN(Cc2cccc(c2)C(=O)O)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.5393822
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.09413061
LogD (pH = 7.4)
-0.72577554
Log P
-0.085686274
Molar Refractivity
87.6074
Polarizability
33.78242
Polar Surface Area
70.08
Rotatable Bonds
5
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