Molecule

ID:42299

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
InChIKey
XAYCTBDPZIKHCW-UHFFFAOYSA-N
Canonic Smiles
NNc1ncccc1Cl
Isomeric Smiles
c1(ncccc1Cl)NN
Calculated Properties
JChem
Acid pKa
18.45993
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.31946474
LogD (pH = 7.4)
1.2748687
Log P
1.3457183
Molar Refractivity
38.7261
Polarizability
13.909206
Polar Surface Area
50.94
Rotatable Bonds
1
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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