Molecule

ID:16200

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀INO
Molecular Mass
263.07557
Exact Mass
262.98071195
Charge
0
InChI
InChI=1S/C8H10INO/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,1-2H3
InChIKey
MXOOTBPBNFQVQE-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ncccc1I)C
Isomeric Smiles
c1cnc(c(c1)I)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8946576
LogD (pH = 7.4)
2.8946867
Log P
2.8946872
Molar Refractivity
53.2077
Polarizability
20.832424
Polar Surface Area
22.12
Rotatable Bonds
2
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
References
Bioactivity
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