Molecule

ID:22606

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FN₂O
Molecular Mass
230.2376432
Exact Mass
230.0855412
Charge
0
InChI
InChI=1S/C13H11FN2O/c14-10-6-4-9(5-7-10)13(17)16-12-3-1-2-11(15)8-12/h1-8H,15H2,(H,16,17)
InChIKey
PLZFORZODOSNBW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.980368
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3725781
LogD (pH = 7.4)
2.3788252
Log P
2.3789065
Molar Refractivity
66.5083
Polarizability
23.734585
Polar Surface Area
55.12
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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