Molecule
ID:119015
General Information
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-2-3-5-9(11)8-10-6-4-7-12-10/h4,6-7H,2-3,5,8H2,1H3
InChIKey
ZFOXBBGPKWFOHA-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)Cc1ccco1
Isomeric Smiles
c1(occc1)CC(=O)CCCC
Calculated Properties
JChem
Acid pKa
12.86627
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5905395
LogD (pH = 7.4)
2.590538
Log P
2.5905395
Molar Refractivity
47.1365
Polarizability
18.309834
Polar Surface Area
30.21
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...