Molecule
ID:69027
General Information
Molecular Formula
C₇H₆FNO
Molecular Mass
139.1270432
Exact Mass
139.04334204
Charge
0
InChI
InChI=1S/C7H6FNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3
InChIKey
PPULDLJGJZUOBS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccncc1F
Isomeric Smiles
C(=O)(C)c1c(cncc1)F
Calculated Properties
JChem
Acid pKa
14.99937
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.45590734
LogD (pH = 7.4)
0.45592263
Log P
0.45592284
Molar Refractivity
34.5203
Polarizability
12.886258
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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