Molecule

ID:50322

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃FO
Molecular Mass
192.2294232
Exact Mass
192.09504326
Charge
0
InChI
InChI=1S/C12H13FO/c13-12-7-2-1-6-11(12)9-4-3-5-10(14)8-9/h1-2,6-7,9H,3-5,8H2
InChIKey
GWFDDEVKTLLHSH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(C1)c1ccccc1F
Isomeric Smiles
C1(c2c(F)cccc2)CC(=O)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0517192
LogD (pH = 7.4)
3.0517192
Log P
3.0517192
Molar Refractivity
53.1074
Polarizability
20.37214
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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