Molecule

ID:98435

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₂N₂
Molecular Mass
154.1168664
Exact Mass
154.03425458
Charge
0
InChI
InChI=1S/C7H4F2N2/c8-7(9,5-10)6-3-1-2-4-11-6/h1-4H
InChIKey
KFERDEOMWCDUCY-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccccn1)(F)F
Isomeric Smiles
n1c(cccc1)C(C#N)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6049786
LogD (pH = 7.4)
1.6051273
Log P
1.6051292
Molar Refractivity
33.9348
Polarizability
12.534744
Polar Surface Area
36.68
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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