Molecule

ID:53312

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂N₃
Molecular Mass
264.11008
Exact Mass
263.0017026
Charge
0
InChI
InChI=1S/C12H7Cl2N3/c13-11-10-9(16-12(14)17-11)6-8(15-10)7-4-2-1-3-5-7/h1-6,15H
InChIKey
RSYBVSVLBSDACE-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2cc([nH]c2c(n1)Cl)c1ccccc1
Isomeric Smiles
c1(nc(c2c(n1)cc([nH]2)c1ccccc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.086458
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8343453
LogD (pH = 7.4)
3.834268
Log P
3.8343465
Molar Refractivity
69.8152
Polarizability
28.637806
Polar Surface Area
41.57
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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