Molecule

ID:70681

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c1-3-8-2-4(7)5(6)9-3/h2H,7H2,1H3
InChIKey
OJDZCCVMFJMXDO-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(c(n1)Cl)N
Isomeric Smiles
c1(nc(c(cn1)N)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.63123816
LogD (pH = 7.4)
0.63159317
Log P
0.6315977
Molar Refractivity
37.9132
Polarizability
13.437329
Polar Surface Area
51.8
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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