Molecule

ID:65717

General Information
Structure
MolImage
Molecular Formula
C₇H₉FN₂
Molecular Mass
140.1581632
Exact Mass
140.07497652
Charge
0
InChI
InChI=1S/C7H9FN2/c1-5(9)7-3-2-6(8)4-10-7/h2-5H,9H2,1H3/t5-/m0/s1
InChIKey
KNKRMCSSVBSDNL-YFKPBYRVSA-N
Canonic Smiles
Fc1ccc(nc1)[C@@H](N)C
Isomeric Smiles
c1cc(cnc1[C@@H](N)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1497767
LogD (pH = 7.4)
-0.6775948
Log P
0.67427987
Molar Refractivity
36.5626
Polarizability
14.299705
Polar Surface Area
38.91
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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