Molecule

ID:45195

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClIN₂
Molecular Mass
254.45613
Exact Mass
253.91077382
Charge
0
InChI
InChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
InChIKey
DEJUUKULVAIMNF-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)N)I
Isomeric Smiles
c1c(c(cnc1Cl)I)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6762463
LogD (pH = 7.4)
1.6797687
Log P
1.6798137
Molar Refractivity
47.8301
Polarizability
17.898115
Polar Surface Area
38.91
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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