Molecule

ID:8335

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO
Molecular Mass
152.1655632
Exact Mass
152.06374313
Charge
0
InChI
InChI=1S/C9H9FO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChIKey
UWCPYXSRCQVABG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1cccc(c1)F
Isomeric Smiles
C(c1cc(ccc1)F)C(=O)C
Calculated Properties
JChem
Acid pKa
15.094255
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0833216
LogD (pH = 7.4)
2.0833216
Log P
2.0833216
Molar Refractivity
41.1331
Polarizability
15.583319
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
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Molecular Spectra
Molecule Details
References
Bioactivity
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