Molecule

ID:35912

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey
HHSIWJYERNCLKQ-UHFFFAOYSA-N
Canonic Smiles
O=C=NCc1ccc(cc1)F
Isomeric Smiles
C(=NCc1ccc(F)cc1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8245555
LogD (pH = 7.4)
1.8245555
Log P
1.8245555
Molar Refractivity
38.1672
Polarizability
14.205952
Polar Surface Area
29.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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