Molecule

ID:23819

General Information
Structure
Molecular Formula
C₇H₅IN₂
Molecular Mass
244.03247
Exact Mass
243.94974617
Charge
0
InChI
InChI=1S/C7H5IN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKey
PCHGYPNRADCIKG-UHFFFAOYSA-N
Canonic Smiles
Ic1ccnc2c1cc[nH]2
Isomeric Smiles
c1cnc2c(c1I)cc[nH]2
Calculated Properties
JChem
Acid pKa
14.866258
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1483243
LogD (pH = 7.4)
2.1507113
Log P
2.1507418
Molar Refractivity
48.3027
Polarizability
19.10378
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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