Molecule

ID:64906

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIN₂
Molecular Mass
278.47753
Exact Mass
277.91077382
Charge
0
InChI
InChI=1S/C7H4ClIN2/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,(H,10,11)
InChIKey
YWAUZXYXCAWEDF-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)nc([nH]2)Cl
Isomeric Smiles
c1(ccc2[nH]c(nc2c1)Cl)I
Calculated Properties
JChem
Acid pKa
9.343075
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.100703
LogD (pH = 7.4)
3.0981243
Log P
3.1024628
Molar Refractivity
53.3569
Polarizability
21.753193
Polar Surface Area
28.68
Rotatable Bonds
0
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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