Molecule

ID:70457

General Information
Structure
MolImage
Molecular Formula
C₅H₅FN₂O
Molecular Mass
128.1044032
Exact Mass
128.03859101
Charge
0
InChI
InChI=1S/C5H5FN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKey
DMTSFVIMARJLRP-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(c(=O)[nH]1)F
Isomeric Smiles
c1([nH]c(=O)c(cn1)F)C
Calculated Properties
JChem
Acid pKa
9.866163
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.30965763
LogD (pH = 7.4)
-0.3109539
Log P
-0.30964103
Molar Refractivity
29.5526
Polarizability
10.762786
Polar Surface Area
41.46
Rotatable Bonds
0
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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