Molecule

ID:97051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FN
Molecular Mass
161.1756232
Exact Mass
161.06407748
Charge
0
InChI
InChI=1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
InChIKey
GPIARMSVZOEZCV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)ccc(n2)C
Isomeric Smiles
n1c(ccc2c1ccc(c2)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3803806
LogD (pH = 7.4)
2.4046538
Log P
2.4049726
Molar Refractivity
44.7872
Polarizability
18.363722
Polar Surface Area
12.89
Rotatable Bonds
0
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
References
Bioactivity
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