Molecule

ID:65196

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIN₂
Molecular Mass
278.47753
Exact Mass
277.91077382
Charge
0
InChI
InChI=1S/C7H4ClIN2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-4H
InChIKey
IHTZNIKMBKFWHV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)c(I)cn2
Isomeric Smiles
c1c(cn2c(c1)ncc2I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2221053
LogD (pH = 7.4)
2.501083
Log P
2.5064538
Molar Refractivity
52.4026
Polarizability
20.550095
Polar Surface Area
17.3
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
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References
Bioactivity
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