Molecule
ID:20958
General Information
Molecular Formula
C₁₁H₁₄INO
Molecular Mass
303.13943
Exact Mass
303.01201207
Charge
0
InChI
InChI=1S/C11H14INO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChIKey
ANYHKDGHXMOCAC-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)OC1CCNCC1
Isomeric Smiles
N1CCC(Oc2cc(I)ccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8191215
LogD (pH = 7.4)
0.025197102
Log P
2.3882773
Molar Refractivity
66.0401
Polarizability
26.078875
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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