Molecule

ID:79801

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁I₂NO
Molecular Mass
475.06288
Exact Mass
474.89300998
Charge
0
InChI
InChI=1S/C15H11I2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
InChIKey
BHJISVJRQDUPTO-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)c1cc(I)ccc1n2CC1CO1
Isomeric Smiles
n1(c2c(cc(cc2)I)c2cc(ccc12)I)CC1OC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.013717
LogD (pH = 7.4)
5.013717
Log P
5.013717
Molar Refractivity
93.8386
Polarizability
38.533546
Polar Surface Area
17.46
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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