Molecule

ID:20869

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄INO
Molecular Mass
303.13943
Exact Mass
303.01201207
Charge
0
InChI
InChI=1S/C11H14INO/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11/h1,3-4,7,11,13H,2,5-6,8H2
InChIKey
HAZKFDIMIVGGDA-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)OC1CCCNC1
Isomeric Smiles
N1CC(Oc2cc(I)ccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32072338
LogD (pH = 7.4)
0.8072253
Log P
2.8456802
Molar Refractivity
65.8193
Polarizability
26.078823
Polar Surface Area
21.26
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
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Molecule Details
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References
Bioactivity
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