Molecule

ID:60573

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇NO₄
Molecular Mass
285.37918
Exact Mass
285.19400835
Charge
0
InChI
InChI=1S/C15H27NO4/c1-6-9-15(12(17)19-5)10-7-8-11-16(15)13(18)20-14(2,3)4/h6-11H2,1-5H3
InChIKey
ACCSOWWLGHVVHE-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCCCN1C(=O)OC(C)(C)C)C(=O)OC
Isomeric Smiles
C1CN(C(CC1)(CCC)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1763713
LogD (pH = 7.4)
3.1763713
Log P
3.1763713
Molar Refractivity
76.2678
Polarizability
30.321398
Polar Surface Area
55.84
Rotatable Bonds
6
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