Molecule

ID:14737

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁Cl₂N₃
Molecular Mass
220.09904
Exact Mass
219.03300273
Charge
0
InChI
InChI=1S/C8H9N3.2ClH/c1-11-5-10-7-4-6(9)2-3-8(7)11;;/h2-5H,9H2,1H3;2*1H
InChIKey
NAXDUEDJGWQFHX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ncn2C.Cl.Cl
Isomeric Smiles
c12c(n(cn1)C)ccc(c2)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22327735
LogD (pH = 7.4)
0.48801404
Log P
0.65425414
Molar Refractivity
44.5656
Polarizability
17.564367
Polar Surface Area
43.84
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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