Molecule

ID:8959

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O
Molecular Mass
156.1294464
Exact Mass
156.03867125
Charge
0
InChI
InChI=1S/C8H6F2O/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3
InChIKey
MXZXYEFIOADJMW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(F)ccc(c1F)C
Isomeric Smiles
c1cc(c(c(c1F)C=O)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4845734
LogD (pH = 7.4)
2.4845734
Log P
2.4845734
Molar Refractivity
38.116
Polarizability
13.446036
Polar Surface Area
17.07
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