Molecule

ID:34927

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₃
Molecular Mass
342.43204
Exact Mass
342.1943427
Charge
0
InChI
InChI=1S/C20H26N2O3/c1-13(2)15-4-6-16(7-5-15)19-21-18(14(3)25-19)12-22-10-8-17(9-11-22)20(23)24/h4-7,13,17H,8-12H2,1-3H3,(H,23,24)
InChIKey
REBMVORBGGRHID-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)Cc1nc(oc1C)c1ccc(cc1)C(C)C
Isomeric Smiles
n1c(c(oc1c1ccc(cc1)C(C)C)C)CN1CCC(C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.2865753
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7779974
LogD (pH = 7.4)
0.73676854
Log P
0.7908378
Molar Refractivity
107.6119
Polarizability
37.98716
Polar Surface Area
66.57
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