Molecule

ID:89790

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅NO₄
Molecular Mass
355.4275
Exact Mass
355.17835829
Charge
0
InChI
InChI=1S/C21H25NO4/c1-21(2,3)26-20(24)22-18(19(23)25-4)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,22,24)
InChIKey
XJFJKCSCNLXBCY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
N(C(C(=O)OC)Cc1ccc(cc1)c1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.61068
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.362832
LogD (pH = 7.4)
4.3628316
Log P
4.362832
Molar Refractivity
99.8946
Polarizability
40.515045
Polar Surface Area
64.63
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