Molecule

ID:31640

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁FN₂O
Molecular Mass
182.1948432
Exact Mass
182.0855412
Charge
0
InChI
InChI=1S/C9H11FN2O/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H2,12,13)
InChIKey
CJSZVUCCALYNSE-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccc(cc1)F)CC(=O)N
Isomeric Smiles
C(C(=O)N)C(c1ccc(cc1)F)N
Calculated Properties
JChem
Acid pKa
15.308302
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.558314
LogD (pH = 7.4)
-1.0172956
Log P
0.20953669
Molar Refractivity
47.0242
Polarizability
18.263529
Polar Surface Area
69.11
Rotatable Bonds
3
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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