Molecule

ID:9081

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂N
Molecular Mass
139.1022264
Exact Mass
139.02335554
Charge
0
InChI
InChI=1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChIKey
GKPHNZYMLJPYJJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1F)F
Isomeric Smiles
C(#N)c1c(F)c(F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1147459
LogD (pH = 7.4)
2.1147459
Log P
2.1147459
Molar Refractivity
32.2124
Polarizability
11.610101
Polar Surface Area
23.79
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
References
Bioactivity
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