Molecule

ID:7292

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClFN
Molecular Mass
181.5941032
Exact Mass
181.00945507
Charge
0
InChI
InChI=1S/C9H5ClFN/c10-9(5-6-12)7-1-3-8(11)4-2-7/h1-5H/b9-5-
InChIKey
QYJZLGBSSYBYSY-UITAMQMPSA-N
Canonic Smiles
N#C/C=C(/c1ccc(cc1)F)\Cl
Isomeric Smiles
c1c(ccc(c1)/C(=C/C#N)/Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.657467
LogD (pH = 7.4)
2.657467
Log P
2.657467
Molar Refractivity
46.9718
Polarizability
17.04752
Polar Surface Area
23.79
Rotatable Bonds
1
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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