Molecule

ID:55070

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN₃
Molecular Mass
209.67538
Exact Mass
209.07197508
Charge
0
InChI
InChI=1S/C10H11N3.ClH/c1-13-6-5-7-8(10(11)12)3-2-4-9(7)13;/h2-6H,1H3,(H3,11,12);1H
InChIKey
OYEOJLYEUBSNJT-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1cccc2c1ccn2C.Cl
Isomeric Smiles
c1ccc2c(c1C(=N)N)ccn2C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1990981
LogD (pH = 7.4)
-1.1830593
Log P
1.2161523
Molar Refractivity
63.7137
Polarizability
21.032183
Polar Surface Area
54.8
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
No Data Available
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Molecule Details
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References
Bioactivity
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