Molecule

ID:17821

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂N₃
Molecular Mass
242.10456
Exact Mass
241.01735266
Charge
0
InChI
InChI=1S/C10H9Cl2N3/c11-9-2-1-7(3-10(9)12)5-15-6-8(13)4-14-15/h1-4,6H,5,13H2
InChIKey
ZKDGSECMKLUWRL-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(c(ccc(c1)Cn1cc(cn1)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5047069
LogD (pH = 7.4)
2.504742
Log P
2.5047424
Molar Refractivity
73.884
Polarizability
23.429432
Polar Surface Area
43.84
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
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Molecule Details
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References
Bioactivity
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