Molecule

ID:33614

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₂
Molecular Mass
154.20626
Exact Mass
154.09937969
Charge
0
InChI
InChI=1S/C9H14O2/c1-11-9(10)8-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey
MSAQFZVACWBUBX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1C2C1CCCC2
Isomeric Smiles
C12C(C1C(=O)OC)CCCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7017941
LogD (pH = 7.4)
1.7017941
Log P
1.7017941
Molar Refractivity
41.309
Polarizability
16.619864
Polar Surface Area
26.3
Rotatable Bonds
2
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