Molecule

ID:54366

General Information
Structure
Molecular Formula
C₅H₄ClIN₂
Molecular Mass
254.45613
Exact Mass
253.91077382
Charge
0
InChI
InChI=1S/C5H4ClIN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKey
CWPAZQRTFHRMQI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(n1)I)N
Isomeric Smiles
n1c(c(ccc1Cl)N)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
17.965433
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
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References
Bioactivity
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