Molecule

ID:101183

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅IN₂O₂
Molecular Mass
322.14277
Exact Mass
322.01782573
Charge
0
InChI
InChI=1S/C10H15IN2O2/c1-6-8(11)7(2)13(12-6)9(14)15-10(3,4)5/h1-5H3
InChIKey
BUHPTZHNAXELNA-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1I)C)C(=O)OC(C)(C)C
Isomeric Smiles
n1(nc(c(c1C)I)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5303652
LogD (pH = 7.4)
2.5303657
Log P
2.5303657
Molar Refractivity
67.5486
Polarizability
25.91166
Polar Surface Area
44.12
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
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References
Bioactivity
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