Molecule

ID:15965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FN₃O
Molecular Mass
209.2201832
Exact Mass
209.09644024
Charge
0
InChI
InChI=1S/C10H12FN3O/c11-9-2-1-3-10(8-9)12-13-14-4-6-15-7-5-14/h1-3,8H,4-7H2/b13-12+
InChIKey
KQTXOAAJYZGRNB-OUKQBFOZSA-N
Canonic Smiles
Fc1cccc(c1)/N=N/N1CCOCC1
Isomeric Smiles
C1CN(CCO1)/N=N/c1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2910004
LogD (pH = 7.4)
2.2910008
Log P
2.2910008
Molar Refractivity
58.087
Polarizability
20.458342
Polar Surface Area
37.19
Rotatable Bonds
2
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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