Molecule

ID:31062

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₄
Molecular Mass
198.65274
Exact Mass
198.06722405
Charge
0
InChI
InChI=1S/C8H10N4.ClH/c1-12-7-5-3-2-4-6(7)10-8(12)11-9;/h2-5H,9H2,1H3,(H,10,11);1H
InChIKey
GMGZZLZIPBXMPT-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2c(n1C)cccc2.Cl
Isomeric Smiles
c1(nc2c(n1C)cccc2)NN.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.78668386
LogD (pH = 7.4)
1.5272747
Log P
1.5590727
Molar Refractivity
49.0452
Polarizability
18.979082
Polar Surface Area
55.87
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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