Molecule

ID:77633

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂
Molecular Mass
110.11064
Exact Mass
110.03677943
Charge
0
InChI
InChI=1S/C6H6O2/c1-5-2-3-8-6(5)4-7/h2-4H,1H3
InChIKey
DSMRYCOTKWYTRF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1occc1C
Isomeric Smiles
o1ccc(c1C=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2594162
LogD (pH = 7.4)
1.2594162
Log P
1.2594162
Molar Refractivity
30.0741
Polarizability
10.880515
Polar Surface Area
30.21
Rotatable Bonds
1
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