Molecule

ID:22261

General Information
Structure
Molecular Formula
C₇H₃FIN
Molecular Mass
247.0082932
Exact Mass
246.92942532
Charge
0
InChI
InChI=1S/C7H3FIN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
InChIKey
WHQVXHBSTRFRCE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1F)I
Isomeric Smiles
C(#N)c1c(cc(cc1)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9009883
LogD (pH = 7.4)
2.9009883
Log P
2.9009883
Molar Refractivity
45.3585
Polarizability
17.197163
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
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References
Bioactivity
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