Molecule

ID:52448

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F
Molecular Mass
138.1820432
Exact Mass
138.08447857
Charge
0
InChI
InChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKey
LUJGLFMPEZIRRP-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)F
Isomeric Smiles
c1(ccc(cc1)F)CCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5185065
LogD (pH = 7.4)
3.5185065
Log P
3.5185065
Molar Refractivity
40.5176
Polarizability
15.421968
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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