Molecule

ID:53437

General Information
Structure
MolImage
Molecular Formula
C₇H₉FN₂
Molecular Mass
140.1581632
Exact Mass
140.07497652
Charge
0
InChI
InChI=1S/C7H9FN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
InChIKey
SNHYTHIEXHWXCQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(N)c(cc1C)N
Isomeric Smiles
c1c(c(cc(c1F)C)N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.9567019
LogD (pH = 7.4)
0.9713275
Log P
0.9715172
Molar Refractivity
40.7164
Polarizability
14.048556
Polar Surface Area
52.04
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
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References
Bioactivity
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