Molecule

ID:22676

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FN₂O
Molecular Mass
230.2376432
Exact Mass
230.0855412
Charge
0
InChI
InChI=1S/C13H11FN2O/c14-12-7-2-1-6-11(12)13(17)16-10-5-3-4-9(15)8-10/h1-8H,15H2,(H,16,17)
InChIKey
VDWDYIZMANGFJV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)NC(=O)c1ccccc1F
Isomeric Smiles
C(=O)(c1c(F)cccc1)Nc1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
12.180781
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3724701
LogD (pH = 7.4)
2.378818
Log P
2.3789065
Molar Refractivity
66.5083
Polarizability
23.736677
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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