Molecule

ID:9080

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂N
Molecular Mass
139.1022264
Exact Mass
139.02335554
Charge
0
InChI
InChI=1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey
OJTMHIMQUQOLJV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)ccc1F
Isomeric Smiles
C(#N)c1c(F)ccc(c1)F
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
11.612494
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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