Molecule

ID:87304

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₄
Molecular Mass
217.05534
Exact Mass
215.99695157
Charge
0
InChI
InChI=1S/C7H6Cl2N4/c1-3-4-5(8)10-7(9)11-6(4)13(2)12-3/h1-2H3
InChIKey
VBDCTFDIXXYZOO-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)n(C)nc2C
Isomeric Smiles
n1c(c2c(nc(nc2Cl)Cl)n1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7280256
LogD (pH = 7.4)
1.7280772
Log P
1.7280778
Molar Refractivity
63.8622
Polarizability
19.767973
Polar Surface Area
43.6
Rotatable Bonds
0
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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