Molecule

ID:71325

General Information
Structure
MolImage
Molecular Formula
C₉H₇IN₂
Molecular Mass
270.06975
Exact Mass
269.96539623
Charge
0
InChI
InChI=1S/C9H7IN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H
InChIKey
RJCCRXXUBFGPBW-UHFFFAOYSA-N
Canonic Smiles
Ic1ccn(n1)c1ccccc1
Isomeric Smiles
n1(nc(cc1)I)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0205944
LogD (pH = 7.4)
3.0205965
Log P
3.0205965
Molar Refractivity
57.4903
Polarizability
22.549568
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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