Molecule

ID:39794

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₄
Molecular Mass
255.31014
Exact Mass
255.14705816
Charge
0
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-8-6-13(7-9-14)5-4-10(15)17-13/h4-9H2,1-3H3
InChIKey
DXCDANAWBPYOAA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(CC1)CCC(=O)O2)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC2(OC(=O)CC2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0002713
LogD (pH = 7.4)
1.0002713
Log P
1.0002713
Molar Refractivity
65.3492
Polarizability
25.941074
Polar Surface Area
55.84
Rotatable Bonds
2
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