Molecule

ID:63121

General Information
Structure
MolImage
Molecular Formula
C₇H₉FN₂
Molecular Mass
140.1581632
Exact Mass
140.07497652
Charge
0
InChI
InChI=1S/C7H9FN2/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5,9H2
InChIKey
SAVAJKHGIQLPDD-UHFFFAOYSA-N
Canonic Smiles
NNCc1cccc(c1)F
Isomeric Smiles
NNCc1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8792763
LogD (pH = 7.4)
1.0543028
Log P
1.0570607
Molar Refractivity
49.7247
Polarizability
14.672323
Polar Surface Area
38.05
Rotatable Bonds
2
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
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References
Bioactivity
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