Molecule

ID:97193

General Information
Structure
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey
XWHHYOYVRVGJJY-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)Cc1ccc(cc1)F
Isomeric Smiles
NC(Cc1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.8572544
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0422062
LogD (pH = 7.4)
-1.0457053
Log P
-1.0422492
Molar Refractivity
45.3327
Polarizability
17.601952
Polar Surface Area
63.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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