Molecule

ID:84789

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NO₄
Molecular Mass
201.2197
Exact Mass
201.10010797
Charge
0
InChI
InChI=1S/C9H15NO4/c1-13-5-6-3-8(11)10-7(6)4-9(12)14-2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
YSQYWGVKZBROFD-UHFFFAOYSA-N
Canonic Smiles
COCC1CC(=O)NC1CC(=O)OC
Isomeric Smiles
N1C(CC(=O)OC)C(COC)CC1=O
Calculated Properties
JChem
Acid pKa
14.170793
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0459749
LogD (pH = 7.4)
-1.0459747
Log P
-1.0459747
Molar Refractivity
48.5339
Polarizability
19.348028
Polar Surface Area
64.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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