Molecule

ID:22334

General Information
Structure
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Molecular Formula
C₆H₄INO
Molecular Mass
233.00653
Exact Mass
232.93376175
Charge
0
InChI
InChI=1S/C6H4INO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChIKey
IGCFPWASPXMWNO-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(C=O)cnc1
Isomeric Smiles
c1(cncc(c1)C=O)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3967944
LogD (pH = 7.4)
1.3970174
Log P
1.3970202
Molar Refractivity
43.8476
Polarizability
16.637463
Polar Surface Area
29.96
Rotatable Bonds
1
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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