Molecule

ID:16201

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀INO
Molecular Mass
275.08627
Exact Mass
274.98071195
Charge
0
InChI
InChI=1S/C9H10INO/c10-8-2-1-5-11-9(8)12-6-7-3-4-7/h1-2,5,7H,3-4,6H2
InChIKey
ILSBVXOYWKUWLJ-UHFFFAOYSA-N
Canonic Smiles
Ic1cccnc1OCC1CC1
Isomeric Smiles
c1(c(cccn1)I)OCC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.90185
LogD (pH = 7.4)
2.901881
Log P
2.9018815
Molar Refractivity
55.9823
Polarizability
21.945303
Polar Surface Area
22.12
Rotatable Bonds
3
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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