Molecule

ID:53423

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂N₃
Molecular Mass
216.06728
Exact Mass
215.0017026
Charge
0
InChI
InChI=1S/C8H7Cl2N3/c1-2-5-4-11-13-7(10)3-6(9)12-8(5)13/h3-4H,2H2,1H3
InChIKey
QFSOXHZZXZVMHY-UHFFFAOYSA-N
Canonic Smiles
CCc1cnn2c1nc(Cl)cc2Cl
Isomeric Smiles
n12c(nc(cc1Cl)Cl)c(cn2)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7542253
LogD (pH = 7.4)
2.7542396
Log P
2.7542398
Molar Refractivity
64.0878
Polarizability
19.934952
Polar Surface Area
30.19
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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