Molecule

ID:68084

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,1H3
InChIKey
QAWILFXCNRBMDF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)ccc1F
Isomeric Smiles
C(=O)c1c(ccc(c1)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3418715
LogD (pH = 7.4)
2.3418715
Log P
2.3418715
Molar Refractivity
37.8996
Polarizability
13.660342
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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