Molecule

ID:97198

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H
InChIKey
JDICMOLUAHZVDS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)Oc1ccccc1)F
Isomeric Smiles
O=Cc1cc(c(cc1)F)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3287373
LogD (pH = 7.4)
3.3287373
Log P
3.3287373
Molar Refractivity
59.0992
Polarizability
22.205034
Polar Surface Area
26.3
Rotatable Bonds
3
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
References
Bioactivity
Navigation