Molecule

ID:21395

General Information
Structure
MolImage
Molecular Formula
C₇H₅IN₂
Molecular Mass
244.03247
Exact Mass
243.94974617
Charge
0
InChI
InChI=1S/C7H5IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey
CYMDPTJBUBTWEY-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc2c(c1)cc[nH]2
Isomeric Smiles
c12c(cc(cn1)I)cc[nH]2
Calculated Properties
JChem
Acid pKa
15.366739
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1499977
LogD (pH = 7.4)
2.1507325
Log P
2.1507418
Molar Refractivity
48.3027
Polarizability
19.10499
Polar Surface Area
28.68
Rotatable Bonds
0
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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