Molecule

ID:16738

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO
Molecular Mass
200.2083632
Exact Mass
200.06374313
Charge
0
InChI
InChI=1S/C13H9FO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChIKey
ZVMXCNFUJPLQFT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccc(cc1)F
Isomeric Smiles
c1(c2ccc(cc2)F)ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4756753
LogD (pH = 7.4)
3.4756753
Log P
3.4756753
Molar Refractivity
57.9946
Polarizability
22.83047
Polar Surface Area
17.07
Rotatable Bonds
2
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