Molecule

ID:32537

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClIN₂
Molecular Mass
254.45613
Exact Mass
253.91077382
Charge
0
InChI
InChI=1S/C5H4ClIN2/c6-5-3(8)1-2-4(7)9-5/h1-2H,8H2
InChIKey
LXHPKNMJRJBWRP-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(n1)Cl)N
Isomeric Smiles
c1c(nc(c(c1)N)Cl)I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7124014
LogD (pH = 7.4)
1.7124014
Log P
1.7124014
Molar Refractivity
47.5382
Polarizability
17.971981
Polar Surface Area
38.91
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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