Molecule

ID:120864

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O
Molecular Mass
194.2055432
Exact Mass
194.0855412
Charge
0
InChI
InChI=1S/C10H11FN2O/c11-9-4-1-6(12)5-8(9)10(14)13-7-2-3-7/h1,4-5,7H,2-3,12H2,(H,13,14)
InChIKey
MPPKHBUETMQGJN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(N)ccc1F)NC1CC1
Isomeric Smiles
c1(C(=O)NC2CC2)c(ccc(c1)N)F
Calculated Properties
JChem
Acid pKa
13.489184
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.82580996
LogD (pH = 7.4)
0.8268886
Log P
0.8269027
Molar Refractivity
52.1611
Polarizability
18.8092
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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