Molecule

ID:99409

General Information
Structure
MolImage
Molecular Formula
C₆H₄FNO
Molecular Mass
125.1004632
Exact Mass
125.02769197
Charge
0
InChI
InChI=1S/C6H4FNO/c7-5-1-2-6(4-9)8-3-5/h1-4H
InChIKey
IACCXWQKIQUVFQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cn1)F
Isomeric Smiles
n1c(ccc(c1)F)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2853103
LogD (pH = 7.4)
1.2853206
Log P
1.2853208
Molar Refractivity
30.3163
Polarizability
11.07264
Polar Surface Area
29.96
Rotatable Bonds
1
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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