Molecule

ID:35108

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₅
Molecular Mass
173.60352
Exact Mass
173.04682296
Charge
0
InChI
InChI=1S/C5H8ClN5/c1-11(2)5-9-3(6)8-4(7)10-5/h1-2H3,(H2,7,8,9,10)
InChIKey
SIVRBYULLRGOGD-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(Cl)nc(n1)N(C)C
Isomeric Smiles
c1(nc(nc(n1)Cl)N)N(C)C
Calculated Properties
JChem
Acid pKa
15.529093
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.3982971
LogD (pH = 7.4)
1.4009385
Log P
1.4009724
Molar Refractivity
47.0412
Polarizability
15.727079
Polar Surface Area
67.93
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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