Molecule

ID:87919

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey
FPLDDZRJTOXFCB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)I)N
Isomeric Smiles
O=C(c1cc(c(cc1)N)I)O
Calculated Properties
JChem
Acid pKa
4.6172767
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7924133
LogD (pH = 7.4)
-0.98375094
Log P
1.7308472
Molar Refractivity
51.3771
Polarizability
19.156727
Polar Surface Area
63.32
Rotatable Bonds
1
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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