Molecule

ID:63288

General Information
Structure
Molecular Formula
C₁₅H₁₀ClN₃
Molecular Mass
267.713
Exact Mass
267.05632502
Charge
0
InChI
InChI=1S/C15H10ClN3/c16-14-10-12(13-8-4-5-9-17-13)15(19-18-14)11-6-2-1-3-7-11/h1-10H
InChIKey
HBHZYLPGIAJEFH-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)c1ccccn1)c1ccccc1
Isomeric Smiles
c1ccc(c2c(c3ccccc3)nnc(Cl)c2)nc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4421327
LogD (pH = 7.4)
3.4484234
Log P
3.4485042
Molar Refractivity
77.002
Polarizability
31.57443
Polar Surface Area
38.67
Rotatable Bonds
2
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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