Molecule

ID:99975

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO
Molecular Mass
152.1655632
Exact Mass
152.06374313
Charge
0
InChI
InChI=1S/C9H9FO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3
InChIKey
RXQBKDVANYJVPW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)cc(cc1C)F
Isomeric Smiles
O=Cc1c(cc(cc1C)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8552928
LogD (pH = 7.4)
2.8552928
Log P
2.8552928
Molar Refractivity
42.9408
Polarizability
15.41813
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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