Molecule

ID:8753

General Information
Structure
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Molecular Formula
C₆H₆FN
Molecular Mass
111.1169432
Exact Mass
111.04842742
Charge
0
InChI
InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey
KRZCOLNOCZKSDF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2784358
LogD (pH = 7.4)
1.2869127
Log P
1.2870218
Molar Refractivity
30.9748
Polarizability
11.131649
Polar Surface Area
26.02
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
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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