Molecule

ID:42334

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O
Molecular Mass
194.2055432
Exact Mass
194.0855412
Charge
0
InChI
InChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2
InChIKey
VDABBWFIBCXQRU-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)c1cccc(n1)F
Isomeric Smiles
n1c(N2CCC(=O)CC2)cccc1F
Calculated Properties
JChem
Acid pKa
18.773018
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9776678
LogD (pH = 7.4)
1.9776707
Log P
1.9776707
Molar Refractivity
52.3497
Polarizability
18.830809
Polar Surface Area
33.2
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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