Molecule

ID:73700

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-4-12-10(11)8-6-5-7-9(2)3/h2,4-8H2,1,3H3
InChIKey
DVJMDIXBABOVGB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCC(=C)C
Isomeric Smiles
O(C(=O)CCCCC(=C)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.69754
LogD (pH = 7.4)
2.69754
Log P
2.69754
Molar Refractivity
49.5184
Polarizability
19.670214
Polar Surface Area
26.3
Rotatable Bonds
7
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