Molecule

ID:42717

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈FNO
Molecular Mass
201.1964232
Exact Mass
201.0589921
Charge
0
InChI
InChI=1S/C12H8FNO/c13-11-5-3-9(4-6-11)12-10(8-15)2-1-7-14-12/h1-8H
InChIKey
YKTWLDISGWOJSC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1c1ccc(cc1)F
Isomeric Smiles
c1(c(C=O)cccn1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6385715
LogD (pH = 7.4)
2.6437864
Log P
2.6438534
Molar Refractivity
55.4657
Polarizability
21.924131
Polar Surface Area
29.96
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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