Molecule
ID:52387
General Information
Molecular Formula
C₇H₃I₂N
Molecular Mass
354.91436
Exact Mass
354.8354951
Charge
0
InChI
InChI=1S/C7H3I2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey
SXOHPRPFFZRIJO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(I)ccc1I
Isomeric Smiles
C(#N)c1c(ccc(c1)I)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.687231
LogD (pH = 7.4)
3.687231
Log P
3.687231
Molar Refractivity
58.5046
Polarizability
22.822283
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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