Molecule
ID:98824
General Information
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
InChIKey
WZCZMWMNVHEBCK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1F)N
Isomeric Smiles
O=C(c1c(c(ccc1)N)F)O
Calculated Properties
JChem
Acid pKa
4.0106673
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.5603705
LogD (pH = 7.4)
-2.2116597
Log P
0.9446047
Molar Refractivity
38.231
Polarizability
13.585772
Polar Surface Area
63.32
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
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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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