Molecule
ID:71226
General Information
Molecular Formula
C₇H₄FNO
Molecular Mass
137.1111632
Exact Mass
137.02769197
Charge
0
InChI
InChI=1S/C7H4FNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey
MWLKQSIMPLORKX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)ccc1O
Isomeric Smiles
C(#N)c1c(ccc(c1)F)O
Calculated Properties
JChem
Acid pKa
7.8320503
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6664761
LogD (pH = 7.4)
1.5329859
Log P
1.6684786
Molar Refractivity
33.9769
Polarizability
12.484104
Polar Surface Area
44.02
Rotatable Bonds
0
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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