Molecule

ID:58180

General Information
Structure
MolImage
Molecular Formula
C₇H₉IN₂O₂
Molecular Mass
280.06303
Exact Mass
279.97087554
Charge
0
InChI
InChI=1S/C7H9IN2O2/c1-2-12-7(11)5-10-4-6(8)3-9-10/h3-4H,2,5H2,1H3
InChIKey
QDCVNLSNYLXDRI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1cc(cn1)I
Isomeric Smiles
n1(cc(cn1)I)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3107147
LogD (pH = 7.4)
1.3107355
Log P
1.3107357
Molar Refractivity
63.9262
Polarizability
20.680117
Polar Surface Area
44.12
Rotatable Bonds
4
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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