Molecule

ID:116467

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀INO
Molecular Mass
251.06487
Exact Mass
250.98071195
Charge
0
InChI
InChI=1S/C7H10INO/c1-6-5-7(10-9-6)3-2-4-8/h5H,2-4H2,1H3
InChIKey
YQCIGBOHIDLZIF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(on1)CCCI
Isomeric Smiles
n1oc(cc1C)CCCI
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1694388
LogD (pH = 7.4)
2.1694992
Log P
2.1695
Molar Refractivity
49.5781
Polarizability
18.672602
Polar Surface Area
26.03
Rotatable Bonds
3
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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