Molecule

ID:65487

General Information
Structure
MolImage
Molecular Formula
C₈H₉F₂N
Molecular Mass
157.1605664
Exact Mass
157.07030573
Charge
0
InChI
InChI=1S/C8H9F2N/c1-2-8(9,10)7-4-3-5-11-6-7/h3-6H,2H2,1H3
InChIKey
NPIGYYZPCODXEA-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cccnc1)(F)F
Isomeric Smiles
c1c(cccn1)C(CC)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0001025
LogD (pH = 7.4)
2.02921
Log P
2.0295973
Molar Refractivity
38.4757
Polarizability
14.407584
Polar Surface Area
12.89
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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