Molecule

ID:80683

General Information
Structure
MolImage
Molecular Formula
C₉H₇IN₂
Molecular Mass
270.06975
Exact Mass
269.96539623
Charge
0
InChI
InChI=1S/C9H7IN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
InChIKey
ADIQBEMLKKKISJ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)n1cccn1
Isomeric Smiles
n1(c2ccc(cc2)I)nccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9879518
LogD (pH = 7.4)
2.988008
Log P
2.9880087
Molar Refractivity
57.7822
Polarizability
22.456493
Polar Surface Area
17.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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