Molecule

ID:119505

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈O₃
Molecular Mass
256.38102
Exact Mass
256.20384476
Charge
0
InChI
InChI=1S/C15H28O3/c1-11(2)5-6-12(9-14(16)17)13-7-8-18-15(3,4)10-13/h11-13H,5-10H2,1-4H3,(H,16,17)
InChIKey
CGFDHQZQOJIQDO-UHFFFAOYSA-N
Canonic Smiles
CC(CCC(C1CCOC(C1)(C)C)CC(=O)O)C
Isomeric Smiles
C(=O)(CC(C1CC(OCC1)(C)C)CCC(C)C)O
Calculated Properties
JChem
Acid pKa
5.0157347
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8286884
LogD (pH = 7.4)
1.0796968
Log P
3.4357262
Molar Refractivity
72.5277
Polarizability
28.83065
Polar Surface Area
46.53
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