Molecule

ID:86648

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂INO
Molecular Mass
289.11285
Exact Mass
288.99636201
Charge
0
InChI
InChI=1S/C10H12INO/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKey
YUEREUIIUISPFV-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)N1CCOCC1
Isomeric Smiles
N1(c2ccc(cc2)I)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7917204
LogD (pH = 7.4)
2.7917335
Log P
2.7917337
Molar Refractivity
62.9236
Polarizability
23.923895
Polar Surface Area
12.47
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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