Molecule

ID:84668

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂ClN₃
Molecular Mass
293.75028
Exact Mass
293.07197508
Charge
0
InChI
InChI=1S/C17H12ClN3/c1-11-15-16(18)13-9-5-6-10-14(13)19-17(15)21(20-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
ZBQYIXWLDYXLCD-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c2c1c(Cl)c1ccccc1n2)c1ccccc1
Isomeric Smiles
n1(c2nc3c(cccc3)c(c2c(n1)C)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3384266
LogD (pH = 7.4)
4.3384733
Log P
4.338474
Molar Refractivity
84.0176
Polarizability
34.583473
Polar Surface Area
30.71
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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