Molecule

ID:68885

General Information
Structure
MolImage
Molecular Formula
C₆H₅IN₂O₂
Molecular Mass
264.02057
Exact Mass
263.93957541
Charge
0
InChI
InChI=1S/C6H5IN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChIKey
LOLSEMNGXKAZBZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)I)N
Isomeric Smiles
Nc1c(cc(cc1)[N+](=O)[O-])I
Calculated Properties
JChem
Acid pKa
17.775713
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0132446
LogD (pH = 7.4)
2.0132484
Log P
2.0132484
Molar Refractivity
50.4414
Polarizability
18.75474
Polar Surface Area
69.16
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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