Molecule

ID:53456

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₅
Molecular Mass
259.29884
Exact Mass
259.14197278
Charge
0
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(17)13-12(9(15)16)6-4-8(14)5-7-12/h8,14H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKey
DRBVVUBYEBFRKS-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)(NC(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
C1(NC(=O)OC(C)(C)C)(CCC(CC1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9185646
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.6024857
LogD (pH = 7.4)
-2.2185802
Log P
0.985321
Molar Refractivity
63.5999
Polarizability
25.256908
Polar Surface Area
95.86
Rotatable Bonds
4
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