Molecule

ID:41068

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂N₃
Molecular Mass
278.13666
Exact Mass
277.01735266
Charge
0
InChI
InChI=1S/C13H9Cl2N3/c14-9-4-3-8(6-10(9)15)12-7-17-13-11(16)2-1-5-18(12)13/h1-7H,16H2
InChIKey
YKPNFHOHVDXVLE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)c1cnc2n1cccc2N
Isomeric Smiles
n12c(ncc1c1cc(c(cc1)Cl)Cl)c(ccc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8903974
LogD (pH = 7.4)
2.6488543
Log P
2.7059393
Molar Refractivity
75.2601
Polarizability
29.118517
Polar Surface Area
43.32
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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