Molecule

ID:13756

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
GOLGILSVWFKZRQ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(=O)O)N
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)N)I
Calculated Properties
JChem
Acid pKa
4.658505
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4096309
LogD (pH = 7.4)
-0.35731193
Log P
2.3808472
Molar Refractivity
51.3771
Polarizability
19.151905
Polar Surface Area
63.32
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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