Molecule

ID:52682

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO
Molecular Mass
127.1163432
Exact Mass
127.04334204
Charge
0
InChI
InChI=1S/C6H6FNO/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey
ILAHVONGWYINEB-UHFFFAOYSA-N
Canonic Smiles
COc1ccnc(c1)F
Isomeric Smiles
c1cnc(cc1OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1345302
LogD (pH = 7.4)
1.1345347
Log P
1.1345347
Molar Refractivity
31.5954
Polarizability
11.6689415
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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