Molecule

ID:126105

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈FNO
Molecular Mass
187.2544232
Exact Mass
187.13724242
Charge
0
InChI
InChI=1S/C10H16N.FH.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;;/h4-8H,9H2,1-3H3;1H;1H2/q+1;;/p-1
InChIKey
RQVPEOYSZICMEA-UHFFFAOYSA-M
Canonic Smiles
C[N+](Cc1ccccc1)(C)C.O.[F-]
Isomeric Smiles
C[N+](C)(C)Cc1ccccc1.O.[F-]
Calculated Properties
JChem
Acid pKa
18.822325
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.247694
LogD (pH = 7.4)
-2.247694
Log P
-2.247694
Molar Refractivity
60.5143
Polarizability
19.203337
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
References
Bioactivity
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