Molecule

ID:16885

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c1-7-5-3-2-4(6)8-9-5/h2-3H,1H3,(H,7,9)
InChIKey
IHSYIVAZIINDFR-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(nn1)Cl
Isomeric Smiles
c1(ccc(nn1)Cl)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6669291
LogD (pH = 7.4)
0.6672568
Log P
0.66726094
Molar Refractivity
40.1378
Polarizability
13.511684
Polar Surface Area
37.81
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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