Molecule

ID:60572

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂FNO
Molecular Mass
193.2174832
Exact Mass
193.09029223
Charge
0
InChI
InChI=1S/C11H12FNO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h1-4H,5-8H2
InChIKey
VXTRVLMTMGCKIE-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)c1ccccc1F
Isomeric Smiles
C1CN(CCC1=O)c1ccccc1F
Calculated Properties
JChem
Acid pKa
18.671402
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2069519
LogD (pH = 7.4)
2.206955
Log P
2.206955
Molar Refractivity
53.1784
Polarizability
19.691612
Polar Surface Area
20.31
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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