Molecule

ID:80465

General Information
Structure
Molecular Formula
C₁₂H₁₃NO₄
Molecular Mass
235.23592
Exact Mass
235.0844579
Charge
0
InChI
InChI=1S/C12H13NO4/c1-16-11(14)9-3-5-10(6-4-9)13-7-2-8-17-12(13)15/h3-6H,2,7-8H2,1H3
InChIKey
LWJAVIFDIUIVGC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N1CCCOC1=O
Isomeric Smiles
O=C(c1ccc(cc1)N1CCCOC1=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5862252
LogD (pH = 7.4)
1.5862252
Log P
1.5862252
Molar Refractivity
60.5822
Polarizability
23.321817
Polar Surface Area
55.84
Rotatable Bonds
3
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