Molecule

ID:124676

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇IN₂O₂
Molecular Mass
314.07925
Exact Mass
313.95522547
Charge
0
InChI
InChI=1S/C10H7IN2O2/c11-7-8(6-4-2-1-3-5-6)12-13-9(7)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKey
NNYUIHAOMUJBLL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]nc(c1I)c1ccccc1
Isomeric Smiles
c1(c(c(n[nH]1)c1ccccc1)I)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3923593
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.72030795
LogD (pH = 7.4)
-0.5871429
Log P
2.817034
Molar Refractivity
65.0058
Polarizability
25.589716
Polar Surface Area
65.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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