Molecule

ID:9972

General Information
Structure
MolImage
Molecular Formula
C₅H₄FN
Molecular Mass
97.0903632
Exact Mass
97.03277735
Charge
0
InChI
InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey
MTAODLNXWYIKSO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccn1
Isomeric Smiles
c1cnc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2922058
LogD (pH = 7.4)
1.292206
Log P
1.292206
Molar Refractivity
25.1322
Polarizability
9.114505
Polar Surface Area
12.89
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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