Molecule

ID:59207

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₄
Molecular Mass
217.05534
Exact Mass
215.99695157
Charge
0
InChI
InChI=1S/C7H6Cl2N4/c1-13-7-4(3-10-13)6(9)11-5(2-8)12-7/h3H,2H2,1H3
InChIKey
BOEZZJARMBVNFK-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(Cl)c2c(n1)n(C)nc2
Isomeric Smiles
c1(nc(c2c(n1)n(nc2)C)Cl)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7814105
LogD (pH = 7.4)
1.7814158
Log P
1.7814158
Molar Refractivity
63.1497
Polarizability
19.669392
Polar Surface Area
43.6
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
No Data Available
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Molecule Details
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References
Bioactivity
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