Molecule

ID:21428

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO
Molecular Mass
127.1163432
Exact Mass
127.04334204
Charge
0
InChI
InChI=1S/C6H6FNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKey
GYGABXVZIHADCT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cn1)F
Isomeric Smiles
c1(cnc(cc1)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3350594
LogD (pH = 7.4)
1.3350616
Log P
1.3350616
Molar Refractivity
30.8942
Polarizability
11.675223
Polar Surface Area
22.12
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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