Molecule

ID:53054

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄O₂
Molecular Mass
282.46136
Exact Mass
282.25588033
Charge
0
InChI
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6-
InChIKey
BTKXLQSCEOHKTF-SREVYHEPSA-N
Canonic Smiles
CCCC/C=C\CCCCCCCCCCOC(=O)C
Isomeric Smiles
C(=O)(C)OCCCCCCCCCC/C=C\CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.21935
LogD (pH = 7.4)
6.21935
Log P
6.21935
Molar Refractivity
87.615
Polarizability
34.42631
Polar Surface Area
26.3
Rotatable Bonds
15
Lipinski's Rule of Five
false
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