Molecule

ID:50618

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃IN₂O₂
Molecular Mass
332.13759
Exact Mass
332.00217567
Charge
0
InChI
InChI=1S/C11H13IN2O2/c1-11(2,3)14-7-4-5-8(12)13-10(7)16-6-9(14)15/h4-5H,6H2,1-3H3
InChIKey
GMFWLVGOOMFZAF-UHFFFAOYSA-N
Canonic Smiles
O=C1COc2c(N1C(C)(C)C)ccc(n2)I
Isomeric Smiles
c1(ccc2c(n1)OCC(=O)N2C(C)(C)C)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0109568
LogD (pH = 7.4)
2.0109568
Log P
2.0109568
Molar Refractivity
68.9738
Polarizability
26.961506
Polar Surface Area
42.43
Rotatable Bonds
1
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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