Molecule

ID:118759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂N₃
Molecular Mass
292.16324
Exact Mass
291.03300273
Charge
0
InChI
InChI=1S/C14H11Cl2N3/c1-8-7-12(16)19-14(17-8)13(9(2)18-19)10-3-5-11(15)6-4-10/h3-7H,1-2H3
InChIKey
AWBIGBCHZDKWET-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1c(C)nn2c1nc(C)cc2Cl
Isomeric Smiles
n12c(c(c(n1)C)c1ccc(cc1)Cl)nc(cc2Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4859312
LogD (pH = 7.4)
3.486037
Log P
3.4860384
Molar Refractivity
87.7035
Polarizability
30.636093
Polar Surface Area
30.19
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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