Molecule

ID:63486

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O
Molecular Mass
110.1537
Exact Mass
110.07316494
Charge
0
InChI
InChI=1S/C7H10O/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2
InChIKey
BMYOVGRZKOKXMG-UHFFFAOYSA-N
Canonic Smiles
C#CC1CCOCC1
Isomeric Smiles
C(#C)C1CCOCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.89934856
LogD (pH = 7.4)
0.89934856
Log P
0.89934856
Molar Refractivity
32.7657
Polarizability
12.487106
Polar Surface Area
9.23
Rotatable Bonds
0
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