Molecule
ID:77783
General Information
Molecular Formula
C₈H₁₀O₂
Molecular Mass
138.1638
Exact Mass
138.06807956
Charge
0
InChI
InChI=1S/C8H10O2/c1-7(6-9)4-3-5-8(2)10/h3-6H,1-2H3
InChIKey
FDZCRHSDRBSPBW-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C/C=C/C(=O)C)/C
Isomeric Smiles
O=C/C(=C/C=C/C(=O)C)/C
Calculated Properties
JChem
Acid pKa
19.731499
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0528611
LogD (pH = 7.4)
1.0528611
Log P
1.0528611
Molar Refractivity
41.9084
Polarizability
15.125729
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...