Molecule

ID:67765

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂N₃
Molecular Mass
188.01412
Exact Mass
186.97040247
Charge
0
InChI
InChI=1S/C6H3Cl2N3/c7-4-1-2-6-9-5(8)3-11(6)10-4/h1-3H
InChIKey
MGNCSIAIZSTMHX-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2n(c1)nc(cc2)Cl
Isomeric Smiles
c12ccc(nn1cc(n2)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3013978
LogD (pH = 7.4)
2.3014162
Log P
2.3014164
Molar Refractivity
55.5058
Polarizability
16.399775
Polar Surface Area
30.19
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
No Data Available
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Molecule Details
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References
Bioactivity
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