Molecule

ID:93328

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FN
Molecular Mass
161.1756232
Exact Mass
161.06407748
Charge
0
InChI
InChI=1S/C10H8FN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
InChIKey
AYSKNDXTWPNRKG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)nc(cc2)C
Isomeric Smiles
n1c(ccc2c1cc(cc2)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3553903
LogD (pH = 7.4)
2.4043107
Log P
2.4049726
Molar Refractivity
44.7872
Polarizability
18.363785
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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