Molecule

ID:66706

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃
Molecular Mass
183.6381
Exact Mass
183.05632502
Charge
0
InChI
InChI=1S/C8H9N3.ClH/c1-6-5-11-4-2-3-7(9)8(11)10-6;/h2-5H,9H2,1H3;1H
InChIKey
KAHZHPQAMUDHSL-UHFFFAOYSA-N
Canonic Smiles
Cc1cn2c(n1)c(N)ccc2.Cl
Isomeric Smiles
Nc1c2n(ccc1)cc(n2)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0989654
LogD (pH = 7.4)
-0.04550089
Log P
0.06199364
Molar Refractivity
45.2283
Polarizability
16.18626
Polar Surface Area
43.32
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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