Molecule

ID:11776

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNO
Molecular Mass
137.1111632
Exact Mass
137.02769197
Charge
0
InChI
InChI=1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey
YEBHNFDMNFHZFF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(O)cccc1F
Isomeric Smiles
c1ccc(c(c1O)C#N)F
Calculated Properties
JChem
Acid pKa
7.3229795
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6620501
LogD (pH = 7.4)
1.3312849
Log P
1.6684786
Molar Refractivity
33.9769
Polarizability
12.485412
Polar Surface Area
44.02
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
No Data Available
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Molecule Details
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References
Bioactivity
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