Molecule

ID:73657

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂N₃
Molecular Mass
264.11008
Exact Mass
263.0017026
Charge
0
InChI
InChI=1S/C12H7Cl2N3/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)6-5-11(14)16-17/h1-7H
InChIKey
HYSPSPQAXIZJPJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1nc2n(c1)nc(cc2)Cl
Isomeric Smiles
n1c(ccc2nc(cn12)c1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0636287
LogD (pH = 7.4)
4.113636
Log P
4.114315
Molar Refractivity
79.2087
Polarizability
27.14299
Polar Surface Area
30.19
Rotatable Bonds
1
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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