Molecule

ID:7906

General Information
Structure
Molecular Formula
C₁₁H₁₅F
Molecular Mass
166.2352032
Exact Mass
166.1157787
Charge
0
InChI
InChI=1S/C11H15F/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
InChIKey
UUAAALCIWZDBDT-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)F
Isomeric Smiles
c1cc(ccc1CCCCC)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.407644
LogD (pH = 7.4)
4.407644
Log P
4.407644
Molar Refractivity
49.7196
Polarizability
19.108467
Polar Surface Area
0.0
Rotatable Bonds
4
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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