Molecule

ID:123650

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClN₃O
Molecular Mass
211.6482
Exact Mass
211.05123964
Charge
0
InChI
InChI=1S/C9H9N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H
InChIKey
UXYCPKAVPVNXAB-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(n1)c1ccccc1.Cl
Isomeric Smiles
n1c(noc1CN)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.16377056
LogD (pH = 7.4)
1.2673136
Log P
1.447486
Molar Refractivity
59.8856
Polarizability
19.077978
Polar Surface Area
64.94
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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