Molecule

ID:14232

General Information
Structure
Molecular Formula
C₂₁H₂₃NO₅
Molecular Mass
369.41102
Exact Mass
369.15762284
Charge
0
InChI
InChI=1S/C21H23NO5/c1-14-2-4-15(5-3-14)10-17(21(24)25)12-20(23)22-9-8-16-6-7-18-19(11-16)27-13-26-18/h2-7,11,17H,8-10,12-13H2,1H3,(H,22,23)(H,24,25)
InChIKey
WFDVRQOVLBEPIS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CC(C(=O)O)CC(=O)NCCc1ccc2c(c1)OCO2
Isomeric Smiles
c12c(ccc(c1)CCNC(=O)CC(Cc1ccc(cc1)C)C(=O)O)OCO2
Calculated Properties
JChem
Acid pKa
4.339997
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.1021929
LogD (pH = 7.4)
0.35588178
Log P
3.2893987
Molar Refractivity
99.7021
Polarizability
38.7752
Polar Surface Area
84.86
Rotatable Bonds
8
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