Molecule

ID:88012

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄INO
Molecular Mass
303.13943
Exact Mass
303.01201207
Charge
0
InChI
InChI=1S/C11H14INO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKey
AXOCSNJJTDANIB-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)CN1CCOCC1
Isomeric Smiles
O1CCN(Cc2cc(ccc2)I)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4656909
LogD (pH = 7.4)
2.6226685
Log P
2.6250865
Molar Refractivity
67.0377
Polarizability
26.089952
Polar Surface Area
12.47
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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