Molecule

ID:23854

General Information
Structure
MolImage
Molecular Formula
C₇H₅IN₂
Molecular Mass
244.03247
Exact Mass
243.94974617
Charge
0
InChI
InChI=1S/C7H5IN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
InChIKey
XILKNEZBBWEDEH-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc2c(c1)[nH]cc2
Isomeric Smiles
c1(cnc2c(c1)[nH]cc2)I
Calculated Properties
JChem
Acid pKa
14.14862
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1672776
LogD (pH = 7.4)
2.1691067
Log P
2.16913
Molar Refractivity
47.9781
Polarizability
19.716566
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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