Molecule

ID:38348

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈IN
Molecular Mass
269.08169
Exact Mass
268.97014726
Charge
0
InChI
InChI=1S/C10H8IN/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,12H2
InChIKey
KAOTXIGLMDOHJJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2ccccc2cc1I
Isomeric Smiles
c1c(c(cc2ccccc12)I)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0613656
LogD (pH = 7.4)
3.0627236
Log P
3.062741
Molar Refractivity
60.5711
Polarizability
23.923908
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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