Molecule

ID:12834

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-15(2)9-16(18,5-6-21-15)10-17-8-12-3-4-13-14(7-12)20-11-19-13/h3-4,7,17-18H,5-6,8-11H2,1-2H3
InChIKey
YUFGVAYYXDAHKF-UHFFFAOYSA-N
Canonic Smiles
OC1(CNCc2ccc3c(c2)OCO3)CCOC(C1)(C)C
Isomeric Smiles
c1(cc2c(cc1)OCO2)CNCC1(CCOC(C1)(C)C)O
Calculated Properties
JChem
Acid pKa
14.253615
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.0881267
LogD (pH = 7.4)
-0.83476657
Log P
1.0468326
Molar Refractivity
78.7873
Polarizability
31.480309
Polar Surface Area
59.95
Rotatable Bonds
4
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