Molecule

ID:88017

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄INO
Molecular Mass
303.13943
Exact Mass
303.01201207
Charge
0
InChI
InChI=1S/C11H14INO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9H2
InChIKey
IYDFKIKPNVVXQU-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)CN1CCOCC1
Isomeric Smiles
N1(Cc2ccc(cc2)I)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.522299
LogD (pH = 7.4)
2.6236289
Log P
2.6250865
Molar Refractivity
67.0377
Polarizability
26.08991
Polar Surface Area
12.47
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
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Molecule Details
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References
Bioactivity
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