Molecule

ID:66530

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂O
Molecular Mass
202.1844832
Exact Mass
202.05424107
Charge
0
InChI
InChI=1S/C11H7FN2O/c12-10-4-2-1-3-9(10)11-13-5-8(7-15)6-14-11/h1-7H
InChIKey
SBKCPJUYLLRHTH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)c1ccccc1F
Isomeric Smiles
c1(ncc(cn1)C=O)c1c(cccc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2527976
LogD (pH = 7.4)
2.2527983
Log P
2.2527983
Molar Refractivity
64.9338
Polarizability
20.381727
Polar Surface Area
42.85
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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